@MOLECULE 1-(2-chloroethyl)-3-(2-{4-[(1z)-1,2-diphenyl-1-buten-1-yl]phenoxy}ethyl)-1-nitrosourea 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.6553 3.0717 0.3778 Cl 1 UNL1111111111 -0.1509 2 O -1.0187 -3.1460 0.0407 O.3 1 UNL1111111111 -0.3574 3 O -4.5808 -1.3882 1.5284 O.2 1 UNL1111111111 -0.5212 4 O -5.1472 -0.2184 -2.7457 O.2 1 UNL1111111111 -0.2159 5 N -3.7722 -2.7534 -0.1262 N.am 1 UNL1111111111 -0.5485 6 N -4.9109 -0.7215 -0.6481 N.am 1 UNL1111111111 -0.4458 7 N -4.7006 -0.9791 -1.9507 N.2 1 UNL1111111111 0.2109 8 C 3.2607 1.5128 0.2040 C.2 1 UNL1111111111 0.0013 9 C 3.4585 0.1969 0.0324 C.2 1 UNL1111111111 -0.0793 10 C 4.3842 2.5031 0.2738 C.3 1 UNL1111111111 -0.2626 11 C 2.3499 -0.7637 0.0273 C.ar 1 UNL1111111111 -0.0550 12 C 4.8024 -0.3719 -0.1263 C.ar 1 UNL1111111111 0.0246 13 C 1.9213 2.0975 0.3541 C.ar 1 UNL1111111111 -0.0003 14 C 1.9442 -1.3272 1.2381 C.ar 1 UNL1111111111 -0.0825 15 C 1.6810 -1.0832 -1.1575 C.ar 1 UNL1111111111 -0.0875 16 C 4.7154 3.0156 -1.1284 C.3 1 UNL1111111111 -0.4254 17 C 5.5373 -0.7360 1.0034 C.ar 1 UNL1111111111 -0.1648 18 C 5.3513 -0.5056 -1.4034 C.ar 1 UNL1111111111 -0.1599 19 C 1.1967 2.5029 -0.7701 C.ar 1 UNL1111111111 -0.1561 20 C 1.3899 2.2770 1.6309 C.ar 1 UNL1111111111 -0.1633 21 C 0.1226 -2.3968 0.1074 C.ar 1 UNL1111111111 0.2445 22 C 0.8246 -2.1514 1.2870 C.ar 1 UNL1111111111 -0.2839 23 C 0.5613 -1.9051 -1.1297 C.ar 1 UNL1111111111 -0.2359 24 C 6.8342 -1.2185 0.8533 C.ar 1 UNL1111111111 -0.1395 25 C 6.6520 -0.9821 -1.5447 C.ar 1 UNL1111111111 -0.1401 26 C -0.0543 3.0937 -0.6119 C.ar 1 UNL1111111111 -0.1397 27 C 0.1360 2.8613 1.7849 C.ar 1 UNL1111111111 -0.1382 28 C -1.7595 -3.2453 1.2588 C.3 1 UNL1111111111 -0.0765 29 C -3.1663 -3.6905 0.8186 C.3 1 UNL1111111111 -0.0737 30 C 7.3921 -1.3377 -0.4186 C.ar 1 UNL1111111111 -0.1607 31 C -0.5855 3.2699 0.6643 C.ar 1 UNL1111111111 -0.1575 32 C -4.3930 -1.6287 0.3538 C.2 1 UNL1111111111 0.7140 33 C -5.6482 0.4610 -0.1631 C.3 1 UNL1111111111 -0.1200 34 C -4.6902 1.6455 -0.0571 C.3 1 UNL1111111111 -0.1950 35 H 5.2858 2.0481 0.7365 H 1 UNL1111111111 0.1543 36 H 4.1100 3.3508 0.9337 H 1 UNL1111111111 0.1502 37 H 2.5010 -1.1109 2.1491 H 1 UNL1111111111 0.1548 38 H 2.0344 -0.6738 -2.1040 H 1 UNL1111111111 0.1573 39 H 5.5281 3.7477 -1.0991 H 1 UNL1111111111 0.1430 40 H 5.0316 2.1954 -1.7852 H 1 UNL1111111111 0.1488 41 H 3.8478 3.4982 -1.5900 H 1 UNL1111111111 0.1470 42 H 5.0966 -0.6361 1.9924 H 1 UNL1111111111 0.1545 43 H 4.7662 -0.2279 -2.2750 H 1 UNL1111111111 0.1547 44 H 1.6120 2.3515 -1.7646 H 1 UNL1111111111 0.1535 45 H 1.9569 1.9534 2.5008 H 1 UNL1111111111 0.1529 46 H 0.5167 -2.5842 2.2331 H 1 UNL1111111111 0.1612 47 H 0.0215 -2.1527 -2.0368 H 1 UNL1111111111 0.1702 48 H 7.4141 -1.5002 1.7290 H 1 UNL1111111111 0.1472 49 H 7.0915 -1.0752 -2.5351 H 1 UNL1111111111 0.1475 50 H -0.6183 3.4209 -1.4830 H 1 UNL1111111111 0.1496 51 H -0.2786 3.0004 2.7814 H 1 UNL1111111111 0.1491 52 H -1.2800 -4.0066 1.8998 H 1 UNL1111111111 0.1337 53 H -1.7877 -2.2730 1.7771 H 1 UNL1111111111 0.1522 54 H -3.8174 -3.7989 1.7223 H 1 UNL1111111111 0.1707 55 H -3.1245 -4.6852 0.3233 H 1 UNL1111111111 0.1582 56 H 8.4072 -1.7095 -0.5326 H 1 UNL1111111111 0.1471 57 H -1.5633 3.7302 0.7880 H 1 UNL1111111111 0.1508 58 H -3.4650 -2.8152 -1.0919 H 1 UNL1111111111 0.3387 59 H -6.1152 0.2336 0.8289 H 1 UNL1111111111 0.1868 60 H -6.4902 0.6820 -0.8614 H 1 UNL1111111111 0.1708 61 H -3.9318 1.5064 0.7359 H 1 UNL1111111111 0.1712 62 H -4.1856 1.8759 -1.0094 H 1 UNL1111111111 0.1656 @BOND 1 1 34 1 2 2 21 1 3 2 28 1 4 3 32 2 5 4 7 2 6 5 29 1 7 5 32 am 8 5 58 1 9 6 7 1 10 6 32 am 11 6 33 1 12 8 9 2 13 8 10 1 14 8 13 1 15 9 11 1 16 9 12 1 17 10 16 1 18 10 35 1 19 10 36 1 20 11 14 ar 21 11 15 ar 22 12 17 ar 23 12 18 ar 24 13 19 ar 25 13 20 ar 26 14 22 ar 27 14 37 1 28 15 23 ar 29 15 38 1 30 16 39 1 31 16 40 1 32 16 41 1 33 17 24 ar 34 17 42 1 35 18 25 ar 36 18 43 1 37 19 26 ar 38 19 44 1 39 20 27 ar 40 20 45 1 41 21 22 ar 42 21 23 ar 43 22 46 1 44 23 47 1 45 24 30 ar 46 24 48 1 47 25 30 ar 48 25 49 1 49 26 31 ar 50 26 50 1 51 27 31 ar 52 27 51 1 53 28 29 1 54 28 52 1 55 28 53 1 56 29 54 1 57 29 55 1 58 30 56 1 59 31 57 1 60 33 34 1 61 33 59 1 62 33 60 1 63 34 61 1 64 34 62 1