@MOLECULE (2r,3r)-3-(4-chlorophenyl)-2-phenyl-1-{2-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butanone 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.3645 -0.5176 -1.2454 Cl 1 UNL1111111111 -0.0980 2 O 1.9723 0.4685 -1.2346 O.3 1 UNL1111111111 -0.3655 3 O 1.2972 1.2363 2.3692 O.2 1 UNL1111111111 -0.4514 4 N 3.5592 -2.3298 -1.0734 N.3 1 UNL1111111111 -0.4136 5 C 3.3904 -3.7783 -0.7772 C.3 1 UNL1111111111 -0.1124 6 C 3.8227 -1.6994 0.2491 C.3 1 UNL1111111111 -0.1157 7 C 2.8273 -3.9084 0.6566 C.3 1 UNL1111111111 -0.3008 8 C 3.1956 -2.5861 1.3509 C.3 1 UNL1111111111 -0.2968 9 C 2.3554 -1.7761 -1.7361 C.3 1 UNL1111111111 -0.1511 10 C -0.1820 0.9520 0.5157 C.3 1 UNL1111111111 -0.2321 11 C -1.3738 1.6798 1.1978 C.3 1 UNL1111111111 -0.0777 12 C 2.6449 -0.3438 -2.2080 C.3 1 UNL1111111111 -0.0418 13 C -0.3733 -0.5349 0.6200 C.ar 1 UNL1111111111 0.0141 14 C 1.1050 1.4040 1.1899 C.2 1 UNL1111111111 0.5018 15 C -2.6577 1.1815 0.5887 C.ar 1 UNL1111111111 0.0001 16 C -1.2504 3.1979 1.0424 C.3 1 UNL1111111111 -0.4504 17 C 2.0824 2.1386 0.3572 C.ar 1 UNL1111111111 -0.2621 18 C 2.5288 1.6470 -0.8804 C.ar 1 UNL1111111111 0.2967 19 C -0.1556 -1.2190 1.8165 C.ar 1 UNL1111111111 -0.1648 20 C -0.8348 -1.2331 -0.5006 C.ar 1 UNL1111111111 -0.1676 21 C -3.5258 0.4025 1.3591 C.ar 1 UNL1111111111 -0.1461 22 C -2.9638 1.4503 -0.7488 C.ar 1 UNL1111111111 -0.1479 23 C 2.5951 3.3469 0.8257 C.ar 1 UNL1111111111 -0.0288 24 C 3.4428 2.3638 -1.6575 C.ar 1 UNL1111111111 -0.3053 25 C -0.3881 -2.5906 1.8885 C.ar 1 UNL1111111111 -0.1449 26 C -1.0727 -2.6025 -0.4236 C.ar 1 UNL1111111111 -0.1489 27 C -4.6859 -0.1259 0.7967 C.ar 1 UNL1111111111 -0.1635 28 C -4.1198 0.9298 -1.3254 C.ar 1 UNL1111111111 -0.1694 29 C 3.5046 4.0714 0.0592 C.ar 1 UNL1111111111 -0.2438 30 C 3.9206 3.5794 -1.1783 C.ar 1 UNL1111111111 -0.0467 31 C -0.8467 -3.2844 0.7707 C.ar 1 UNL1111111111 -0.1601 32 C -4.9522 0.1463 -0.5378 C.ar 1 UNL1111111111 0.0179 33 H 4.4011 -4.2349 -0.8454 H 1 UNL1111111111 0.1428 34 H 2.7569 -4.2840 -1.5244 H 1 UNL1111111111 0.1259 35 H 3.4466 -0.6619 0.2983 H 1 UNL1111111111 0.1410 36 H 4.9265 -1.6507 0.3613 H 1 UNL1111111111 0.1418 37 H 3.2493 -4.7785 1.1783 H 1 UNL1111111111 0.1375 38 H 1.7333 -4.0499 0.6388 H 1 UNL1111111111 0.1417 39 H 2.3037 -2.1026 1.7853 H 1 UNL1111111111 0.1486 40 H 3.8995 -2.7428 2.1812 H 1 UNL1111111111 0.1400 41 H 1.4565 -1.7820 -1.0735 H 1 UNL1111111111 0.1601 42 H 2.1126 -2.4114 -2.6149 H 1 UNL1111111111 0.1446 43 H -0.1542 1.2509 -0.5647 H 1 UNL1111111111 0.1764 44 H -1.3453 1.4308 2.2921 H 1 UNL1111111111 0.1642 45 H 3.7292 -0.1386 -2.2434 H 1 UNL1111111111 0.1528 46 H 2.1773 -0.1113 -3.1784 H 1 UNL1111111111 0.1316 47 H -2.1411 3.7047 1.4339 H 1 UNL1111111111 0.1547 48 H -0.3853 3.5863 1.5933 H 1 UNL1111111111 0.1505 49 H -1.1364 3.5002 -0.0042 H 1 UNL1111111111 0.1484 50 H 0.1931 -0.6808 2.7012 H 1 UNL1111111111 0.1800 51 H -1.0237 -0.7030 -1.4327 H 1 UNL1111111111 0.1553 52 H -3.2900 0.1902 2.4017 H 1 UNL1111111111 0.1619 53 H -2.2930 2.0639 -1.3490 H 1 UNL1111111111 0.1594 54 H 2.2819 3.7187 1.8042 H 1 UNL1111111111 0.1607 55 H 3.7723 1.9885 -2.6205 H 1 UNL1111111111 0.1665 56 H -0.2163 -3.1185 2.8247 H 1 UNL1111111111 0.1504 57 H -1.4449 -3.1377 -1.2946 H 1 UNL1111111111 0.1494 58 H -5.3569 -0.7423 1.3939 H 1 UNL1111111111 0.1713 59 H -4.3558 1.1328 -2.3688 H 1 UNL1111111111 0.1682 60 H 3.8946 5.0161 0.4274 H 1 UNL1111111111 0.1566 61 H 4.6299 4.1523 -1.7761 H 1 UNL1111111111 0.1459 62 H -1.0367 -4.3532 0.8316 H 1 UNL1111111111 0.1484 @BOND 1 1 32 1 2 2 12 1 3 2 18 1 4 3 14 2 5 4 5 1 6 4 6 1 7 4 9 1 8 5 7 1 9 5 33 1 10 5 34 1 11 6 8 1 12 6 35 1 13 6 36 1 14 7 8 1 15 7 37 1 16 7 38 1 17 8 39 1 18 8 40 1 19 9 12 1 20 9 41 1 21 9 42 1 22 10 11 1 23 10 13 1 24 10 14 1 25 10 43 1 26 11 15 1 27 11 16 1 28 11 44 1 29 12 45 1 30 12 46 1 31 13 19 ar 32 13 20 ar 33 14 17 1 34 15 21 ar 35 15 22 ar 36 16 47 1 37 16 48 1 38 16 49 1 39 17 18 ar 40 17 23 ar 41 18 24 ar 42 19 25 ar 43 19 50 1 44 20 26 ar 45 20 51 1 46 21 27 ar 47 21 52 1 48 22 28 ar 49 22 53 1 50 23 29 ar 51 23 54 1 52 24 30 ar 53 24 55 1 54 25 31 ar 55 25 56 1 56 26 31 ar 57 26 57 1 58 27 32 ar 59 27 58 1 60 28 32 ar 61 28 59 1 62 29 30 ar 63 29 60 1 64 30 61 1 65 31 62 1