0000111.pdb OpenBabel10071416243D 55 57 0 0 1 0 0 0 0 0999 V2000 -2.1730 -0.3930 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 1.0270 -0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 1.7430 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 1.0920 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 1.8190 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 3.1970 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 3.8560 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 3.1290 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 3.7720 -0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 4.1640 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 5.2110 -0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 5.7600 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 3.9840 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 3.4840 2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 4.1080 3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 5.0170 4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 6.0860 3.2450 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5110 6.6540 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 5.4050 1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 6.9500 3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 6.6490 3.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 8.1600 4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 8.5090 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 9.6460 5.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 10.4380 5.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 10.0980 5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 8.9650 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 11.0990 5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.6440 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -0.8410 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -0.7770 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 0.0160 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 1.3090 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 4.5890 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 3.2930 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 4.9080 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 6.8450 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 5.4920 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 5.3600 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 3.3270 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 4.7930 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 2.8860 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 2.8470 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 3.3190 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 4.6950 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 4.4240 4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 5.4970 5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 6.1630 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 4.7980 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 7.8900 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 9.9180 6.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 11.3260 6.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 8.7000 4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 4.5640 1.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 5.1480 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 32 1 0 0 0 0 4 5 1 0 0 0 0 5 33 1 0 0 0 0 6 5 2 0 0 0 0 6 13 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 35 1 0 0 0 0 11 7 1 0 0 0 0 12 37 1 0 0 0 0 12 11 1 0 0 0 0 13 54 1 0 0 0 0 14 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 6 0 0 0 17 20 1 0 0 0 0 17 16 1 0 0 0 0 19 49 1 0 0 0 0 19 17 1 0 0 0 0 20 22 1 0 0 0 0 21 20 2 0 0 0 0 22 27 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 26 25 2 0 0 0 0 27 26 1 0 0 0 0 30 1 1 0 0 0 0 31 1 1 0 0 0 0 34 10 1 0 0 0 0 38 12 1 0 0 0 0 39 12 1 0 0 0 0 40 13 1 0 0 0 0 41 13 1 0 0 0 0 43 14 1 0 0 0 0 45 15 1 0 0 0 0 48 19 1 0 0 0 0 50 23 1 0 0 0 0 53 27 1 0 0 0 0 54 55 1 0 0 0 0 54 19 1 0 0 0 0 54 14 1 0 0 0 0 M END > 971640 > NAME: (3-chlorophenyl)-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidyl]methanone > <======> ============================================================================== $$$$