@MOLECULE (3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid 32 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2366 -3.3627 0.2476 O.2 1 UNL111111111 -0.5045 2 C 0.9369 -2.1852 0.1749 C.ar 1 UNL111111111 0.6146 3 C 1.9605 -1.1365 -0.0049 C.ar 1 UNL111111111 -0.2309 4 C 3.1029 -1.5213 -0.7166 C.ar 1 UNL111111111 -0.0046 5 C 4.1906 -0.6634 -0.8406 C.ar 1 UNL111111111 -0.2509 6 C 4.1193 0.5737 -0.2108 C.ar 1 UNL111111111 0.1203 7 CL 5.4601 1.6289 -0.3272 Cl 1 UNL111111111 -0.0767 8 C 3.0114 0.9978 0.5009 C.ar 1 UNL111111111 -0.3134 9 C 1.9017 0.1342 0.5870 C.ar 1 UNL111111111 0.2753 10 N 0.7803 0.5395 1.3409 N.ar 1 UNL111111111 -0.4921 11 N -0.4263 -1.9016 0.1993 N.ar 1 UNL111111111 -0.5553 12 C -1.0456 -0.6407 0.1476 C.ar 1 UNL111111111 0.1843 13 C -0.4829 0.5364 0.6832 C.ar 1 UNL111111111 0.1010 14 C -1.2113 1.7332 0.6355 C.ar 1 UNL111111111 -0.1758 15 C -2.4747 1.7738 0.0604 C.ar 1 UNL111111111 -0.1650 16 C -2.3202 -0.5829 -0.4406 C.ar 1 UNL111111111 -0.2123 17 C -3.0262 0.6150 -0.4885 C.ar 1 UNL111111111 0.0376 18 C -4.3742 0.6627 -1.1356 C.3 1 UNL111111111 -0.3581 19 C -5.4463 0.2638 -0.1676 C.2 1 UNL111111111 0.6477 20 O -5.3652 -0.2851 0.8956 O.2 1 UNL111111111 -0.4788 21 O -6.6595 0.6175 -0.6775 O.3 1 UNL111111111 -0.5768 22 H 3.1411 -2.5226 -1.1635 H 1 UNL111111111 0.1815 23 H 5.0729 -0.9649 -1.4031 H 1 UNL111111111 0.1827 24 H 2.9885 1.9761 0.9763 H 1 UNL111111111 0.1810 25 H 0.9355 1.3600 1.9310 H 1 UNL111111111 0.3008 26 H -1.0499 -2.7096 0.2820 H 1 UNL111111111 0.3327 27 H -0.7869 2.6436 1.0582 H 1 UNL111111111 0.1594 28 H -3.0309 2.7094 0.0423 H 1 UNL111111111 0.1598 29 H -2.7622 -1.4900 -0.8532 H 1 UNL111111111 0.1706 30 H -4.5939 1.6769 -1.5473 H 1 UNL111111111 0.1938 31 H -4.4196 -0.0046 -2.0294 H 1 UNL111111111 0.1938 32 H -7.4212 0.3807 -0.0947 H 1 UNL111111111 0.3583 @BOND 1 1 2 2 2 2 3 ar 3 3 9 ar 4 4 3 ar 5 4 5 ar 6 4 22 1 7 5 6 ar 8 5 23 1 9 6 8 ar 10 6 7 1 11 8 24 1 12 9 10 ar 13 9 8 ar 14 10 25 1 15 11 12 ar 16 11 2 ar 17 11 26 1 18 12 13 ar 19 13 10 ar 20 14 13 ar 21 14 27 1 22 15 14 ar 23 15 28 1 24 16 12 ar 25 16 29 1 26 17 16 ar 27 17 15 ar 28 18 17 1 29 18 30 1 30 18 31 1 31 19 21 1 32 19 18 1 33 20 19 2 34 21 32 1