@MOLECULE 2-methyl-2-propanyl 4-{(11s)-8-chloro-6-[(r)-hydroxy(1-methyl-1h-imidazol-5-yl)methyl]-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}-1-piperazinecarboxylate 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.3160 -1.5438 3.2701 Cl 1 UNL1111111111 -0.0827 2 C 0.9841 0.5625 2.9243 C.ar 1 UNL1111111111 -0.1396 3 N -3.3537 -0.4252 -1.2705 N.am 1 UNL1111111111 -0.4526 4 O -5.4587 0.5119 -1.1437 O.2 1 UNL1111111111 -0.5658 5 C 0.4141 2.7295 0.3533 C.ar 1 UNL1111111111 0.1569 6 N 4.0976 -1.3949 -2.1480 N.ar 1 UNL1111111111 -0.2046 7 O -4.8936 -1.2760 0.1531 O.3 1 UNL1111111111 -0.4895 8 C 1.2761 2.6092 -0.7554 C.ar 1 UNL1111111111 -0.0710 9 N 4.5695 -3.4243 -1.3201 N.ar 1 UNL1111111111 -0.3676 10 O 1.2524 -0.8284 -2.8661 O.3 1 UNL1111111111 -0.5536 11 C 1.9052 3.7667 -1.2252 C.ar 1 UNL1111111111 -0.0944 12 N 0.1765 3.9086 0.9603 N.ar 1 UNL1111111111 -0.3917 13 C 1.6724 4.9818 -0.5893 C.ar 1 UNL1111111111 -0.2393 14 N -1.0772 0.7808 -0.0021 N.3 1 UNL1111111111 -0.4228 15 C -0.2751 1.5327 0.9977 C.3 1 UNL1111111111 0.0307 16 C 0.8507 0.6747 1.5379 C.ar 1 UNL1111111111 -0.0288 17 C 1.7820 0.0676 0.6809 C.ar 1 UNL1111111111 0.0109 18 C 1.6543 0.1673 -0.7783 C.2 1 UNL1111111111 -0.0236 19 C 0.7939 5.0111 0.5024 C.ar 1 UNL1111111111 0.0558 20 C 1.6337 -1.1447 -1.5307 C.3 1 UNL1111111111 0.1783 21 C 1.4727 1.3310 -1.4230 C.2 1 UNL1111111111 -0.1248 22 C 2.0516 -0.1368 3.4794 C.ar 1 UNL1111111111 -0.1615 23 C 2.9779 -0.7041 2.6144 C.ar 1 UNL1111111111 0.0331 24 C 2.8695 -0.6155 1.2361 C.ar 1 UNL1111111111 -0.1832 25 C -1.7174 -0.4081 0.6129 C.3 1 UNL1111111111 -0.1469 26 C -2.3696 -1.2284 -0.5274 C.3 1 UNL1111111111 -0.0810 27 C -2.7609 0.8250 -1.7835 C.3 1 UNL1111111111 -0.0816 28 C -2.0971 1.6418 -0.6475 C.3 1 UNL1111111111 -0.1525 29 C 3.2471 -3.1406 -1.0524 C.ar 1 UNL1111111111 -0.0741 30 C -6.7208 -0.2565 1.3734 C.3 1 UNL1111111111 -0.5089 31 C 4.2600 -0.1081 -2.7933 C.3 1 UNL1111111111 -0.2551 32 C -7.1388 -1.8477 -0.5634 C.3 1 UNL1111111111 -0.5101 33 C -4.6489 -0.3031 -0.7585 C.2 1 UNL1111111111 0.7193 34 C -6.0372 -2.6875 1.5575 C.3 1 UNL1111111111 -0.4822 35 C 2.9293 -1.8706 -1.5596 C.ar 1 UNL1111111111 -0.1095 36 C 5.0781 -2.3647 -1.9815 C.ar 1 UNL1111111111 0.0512 37 C -6.2455 -1.4924 0.6187 C.3 1 UNL1111111111 0.3807 38 H 0.2549 1.0386 3.5815 H 1 UNL1111111111 0.1632 39 H 1.2090 -1.6446 -3.4040 H 1 UNL1111111111 0.3219 40 H 2.5774 3.7114 -2.0807 H 1 UNL1111111111 0.1587 41 H 2.1578 5.8919 -0.9280 H 1 UNL1111111111 0.1641 42 H -0.9277 1.9011 1.8422 H 1 UNL1111111111 0.1573 43 H 0.5666 5.9400 1.0377 H 1 UNL1111111111 0.1718 44 H 0.8256 -1.7937 -1.0952 H 1 UNL1111111111 0.1532 45 H 1.4007 1.3667 -2.5168 H 1 UNL1111111111 0.1808 46 H 2.1560 -0.2235 4.5597 H 1 UNL1111111111 0.1699 47 H 3.6299 -1.0634 0.5930 H 1 UNL1111111111 0.1870 48 H -0.9349 -1.0225 1.1090 H 1 UNL1111111111 0.1542 49 H -2.4736 -0.1506 1.3828 H 1 UNL1111111111 0.1268 50 H -2.8427 -2.1488 -0.1246 H 1 UNL1111111111 0.1548 51 H -1.5871 -1.5472 -1.2575 H 1 UNL1111111111 0.1627 52 H -1.9968 0.5420 -2.5460 H 1 UNL1111111111 0.1674 53 H -3.5390 1.4338 -2.2957 H 1 UNL1111111111 0.1646 54 H -2.8644 2.0185 0.0610 H 1 UNL1111111111 0.1333 55 H -1.5950 2.5314 -1.0850 H 1 UNL1111111111 0.1515 56 H 2.6251 -3.8364 -0.5231 H 1 UNL1111111111 0.1824 57 H -6.8776 0.5933 0.6907 H 1 UNL1111111111 0.1838 58 H -7.6682 -0.4426 1.8883 H 1 UNL1111111111 0.1558 59 H -5.9849 0.0636 2.1190 H 1 UNL1111111111 0.1554 60 H 4.4784 0.6794 -2.0446 H 1 UNL1111111111 0.1666 61 H 5.0819 -0.1322 -3.5286 H 1 UNL1111111111 0.1525 62 H 3.3285 0.1822 -3.3260 H 1 UNL1111111111 0.1870 63 H -6.6923 -2.6397 -1.1763 H 1 UNL1111111111 0.1596 64 H -8.1250 -2.1876 -0.2333 H 1 UNL1111111111 0.1552 65 H -7.2924 -0.9801 -1.2241 H 1 UNL1111111111 0.1824 66 H -5.3450 -2.4377 2.3703 H 1 UNL1111111111 0.1577 67 H -6.9853 -3.0036 2.0029 H 1 UNL1111111111 0.1550 68 H -5.6103 -3.5425 1.0197 H 1 UNL1111111111 0.1593 69 H 6.0887 -2.2725 -2.3343 H 1 UNL1111111111 0.1866 @BOND 1 1 23 1 2 2 16 ar 3 2 38 1 4 3 27 1 5 3 33 am 6 5 8 ar 7 6 35 ar 8 6 36 ar 9 7 33 1 10 7 37 1 11 8 11 ar 12 8 21 1 13 10 39 1 14 11 40 1 15 12 5 ar 16 12 19 ar 17 13 11 ar 18 13 41 1 19 14 28 1 20 15 5 1 21 15 14 1 22 15 42 1 23 16 15 1 24 16 17 ar 25 17 18 1 26 18 21 2 27 18 20 1 28 19 13 ar 29 19 43 1 30 20 10 1 31 20 35 1 32 20 44 1 33 21 45 1 34 22 2 ar 35 22 23 ar 36 22 46 1 37 23 24 ar 38 24 17 ar 39 24 47 1 40 25 14 1 41 25 26 1 42 25 48 1 43 25 49 1 44 26 3 1 45 26 50 1 46 26 51 1 47 27 52 1 48 27 53 1 49 28 27 1 50 28 54 1 51 28 55 1 52 29 9 ar 53 29 56 1 54 30 57 1 55 30 58 1 56 30 59 1 57 31 6 1 58 31 60 1 59 31 61 1 60 31 62 1 61 32 37 1 62 32 63 1 63 32 64 1 64 32 65 1 65 33 4 2 66 34 37 1 67 34 66 1 68 34 67 1 69 34 68 1 70 35 29 ar 71 36 9 ar 72 36 69 1 73 37 30 1