C3H7NO2 OL"tkserve11080215002D 0 0.00000 0.000001 13 12 0 0 0 0 0 0 0 0 2 V2000 2.5369 -0.7315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2685 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 1 1 1 0 0 0 2 10 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C6H15N4O2 OL"tkserve11080215002D 0 0.00000 0.00000 1 26 25 0 0 0 0 0 0 0 0 2 V2000 7.7331 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3450 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -0.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 9 1 6 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 3 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 4 1 0 0 0 0 4 22 1 0 0 0 0 4 21 1 0 0 0 0 4 5 1 0 0 0 0 5 23 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 24 1 0 0 0 0 8 26 1 0 0 0 0 8 25 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M CHG 2 9 1 12 -1 M END $$$$ C4H8N2O3 OL"tkserve11080215002D 0 0.00000 0.00000 1 17 16 0 0 1 0 0 0 0 0 2 V2000 4.5981 1.1550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 1 11 1 0 0 0 0 2 1 1 1 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 8 17 1 0 0 0 0 8 16 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C4H7NO4 OL"tkserve11080215002D 0 0.00000 0.000001 16 15 0 0 0 0 0 0 0 0 2 V2000 4.5981 1.1550 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 1 11 1 0 0 0 0 2 1 1 6 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 8 16 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C3H7NO2S OL"tkserve11080215002D 0 0.00000 0.000001 14 13 0 0 0 0 0 0 0 0 2 V2000 5.1350 0.7315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2685 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.2315 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 1 1 1 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 7 1 0 0 0 0 7 14 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C5H10N2O3 OL"tkserve11080215002D 0 0.00000 0.000001 20 19 0 0 0 0 0 0 0 0 2 V2000 6.8671 0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0010 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 12 1 0 0 0 0 1 11 1 0 0 0 0 2 1 1 1 0 0 0 2 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 9 19 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C5H9NO4 OL"tkserve11080215002D 0 0.00000 0.00000 1 19 18 0 0 1 0 0 0 0 0 2 V2000 6.8671 0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0010 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 12 1 0 0 0 0 1 11 1 0 0 0 0 2 1 1 6 0 0 0 2 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 9 19 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C2H5NO2 OL"tkserve11080215002D 0 0.00000 0.00000 1 10 9 0 0 0 0 0 0 0 0 2 V2000 2.5369 -0.7315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2685 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2269 -0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.1239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -0.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 2 10 1 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 M CHG 2 1 1 5 -1 M END $$$$ C6H9N3O2 OL"tkserve11080215002D 0 0.00000 0.00000 1 20 20 0 0 1 0 0 0 0 0 2 V2000 4.5965 0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 0.9602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8644 0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 -0.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -2.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 1.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 2.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2674 1.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3505 1.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 0.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -2.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -0.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 1.9602 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6734 -1.1276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 -0.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 0.9602 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 1 20 1 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 6 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 M CHG 2 16 1 20 -1 M END $$$$ C6H13NO2 OL"tkserve11080215002D 0 0.00000 0.00000 1 22 21 0 0 1 0 0 0 0 0 2 V2000 4.5981 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 1 1 1 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 14 1 0 0 0 0 4 7 1 6 0 0 0 4 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 22 1 0 0 0 0 9 21 1 0 0 0 0 9 20 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C6H13NO2 OL"tkserve11080215002D 0 0.00000 0.00000 1 22 21 0 0 1 0 0 0 0 0 2 V2000 2.8660 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2685 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 10 1 0 0 0 0 1 5 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 2 14 1 0 0 0 0 2 5 1 0 0 0 0 3 18 1 0 0 0 0 3 17 1 0 0 0 0 3 16 1 0 0 0 0 6 3 1 6 0 0 0 4 7 2 0 0 0 0 5 19 1 0 0 0 0 5 8 1 0 0 0 0 6 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 M CHG 2 3 1 9 -1 M END $$$$ C6H14N2O2 OL"tkserve11080215002D 0 0.00000 0.00000 1 24 23 0 0 1 0 0 0 0 0 2 V2000 7.7331 0.6900 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8671 0.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 1 12 1 0 0 0 0 2 1 1 6 0 0 0 2 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 7 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 8 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 9 1 0 0 0 0 9 22 1 0 0 0 0 9 21 1 0 0 0 0 9 10 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C5H11NO2S OL"tkserve11080215002D 0 0.00000 0.00000 1 20 19 0 0 1 0 0 0 0 0 2 V2000 6.3301 0.7315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 0.2315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2685 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7321 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7315 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 1 1 6 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 7 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C9H11NO2 OL"tkserve11080215002D 0 0.00000 0.00000 1 23 23 0 0 1 0 0 0 0 0 2 V2000 3.7321 0.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.9400 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 9 1 1 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 19 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 16 1 0 0 0 0 4 5 1 0 0 0 0 5 17 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 7 8 2 0 0 0 0 8 15 1 0 0 0 0 9 22 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M CHG 2 9 1 12 -1 M END $$$$ C5H9NO2 OL"tkserve11080215002D 0 0.00000 0.00000 1 17 17 0 0 1 0 0 0 0 0 2 V2000 5.0032 -1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.1681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5032 0.4197 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3122 -0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5282 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6097 -1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9384 -1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 -1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.9213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 0.9213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 0.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -0.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 9 1 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 12 1 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 3 13 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 1 0 0 0 4 15 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 17 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 M CHG 2 4 1 8 -1 M END $$$$ C3H7NO3 OL"tkserve11080215002D 0 0.00000 0.000001 14 13 0 0 0 0 0 0 0 0 2 V2000 5.1350 0.7315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2685 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 9 1 0 0 0 0 1 8 1 0 0 0 0 2 1 1 1 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 7 1 0 0 0 0 7 14 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C4H9NO3 OL"tkserve11080215002D 0 0.00000 0.00000 1 17 16 0 0 1 0 0 0 0 0 2 V2000 4.5981 0.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 0.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 1 10 1 0 0 0 0 2 1 1 1 0 0 0 2 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 13 1 0 0 0 0 4 7 1 1 0 0 0 4 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ C11H12N2O2 OL"tkserve11080215002D 0 0.00000 0.000001 27 28 0 0 0 0 0 0 0 0 2 V2000 5.9674 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.8584 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6353 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -0.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.3698 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8819 -1.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 1.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4707 2.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 2.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 12 1 1 0 0 0 1 13 1 0 0 0 0 1 2 1 0 0 0 0 2 23 1 0 0 0 0 2 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 4 11 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 17 1 0 0 0 0 6 7 1 0 0 0 0 7 16 1 0 0 0 0 8 21 1 0 0 0 0 8 9 2 0 0 0 0 9 18 1 0 0 0 0 9 10 1 0 0 0 0 10 19 1 0 0 0 0 10 11 2 0 0 0 0 11 20 1 0 0 0 0 12 27 1 0 0 0 0 12 26 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M CHG 2 12 1 15 -1 M END $$$$ C9H11NO3 OL"tkserve11080215002D 0 0.00000 0.00000 1 24 24 0 0 1 0 0 0 0 0 2 V2000 2.8660 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 1 23 1 0 0 0 0 1 4 1 0 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 7 2 0 0 0 0 4 20 1 0 0 0 0 4 21 1 1 0 0 0 4 8 1 0 0 0 0 5 17 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 18 1 0 0 0 0 6 7 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 9 1 0 0 0 0 10 21 1 0 0 0 0 11 24 1 0 0 0 0 15 21 1 0 0 0 0 19 21 1 0 0 0 0 M CHG 2 21 1 23 -1 M END $$$$ C5H11NO2 OL"tkserve11080215002D 0 0.00000 0.00000 1 19 18 0 0 1 0 0 0 0 0 2 V2000 4.5981 0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 1 1 1 0 0 0 2 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 13 1 0 0 0 0 4 8 1 0 0 0 0 4 7 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 15 1 0 0 0 0 8 18 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$