@MOLECULE (+)-nutlin-3 70 74 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.7799 1.4165 3.5806 Cl 1 UNL1111111111 -0.0896 2 CL 6.8713 -1.7952 -1.5927 Cl 1 UNL1111111111 -0.0921 3 O -1.9257 0.7439 1.5903 O.2 1 UNL1111111111 -0.5076 4 O -3.1828 -0.6128 -1.0941 O.3 1 UNL1111111111 -0.3829 5 O -2.7580 4.4560 -2.3258 O.2 1 UNL1111111111 -0.5456 6 O -4.9688 -3.9452 1.9704 O.3 1 UNL1111111111 -0.3105 7 N -0.6134 0.3420 -0.2426 N.am 1 UNL1111111111 -0.5728 8 N 0.1313 -1.6575 -1.0474 N.2 1 UNL1111111111 -0.4560 9 N -1.2034 2.5773 0.4025 N.am 1 UNL1111111111 -0.4807 10 N -3.5498 4.1034 -0.2561 N.am 1 UNL1111111111 -0.5899 11 C 0.7432 0.6662 -0.7579 C.3 1 UNL1111111111 0.0546 12 C 1.0294 -0.6386 -1.6213 C.3 1 UNL1111111111 0.0218 13 C -0.7654 -1.0924 -0.2965 C.2 1 UNL1111111111 0.4434 14 C 1.7451 0.8444 0.3557 C.ar 1 UNL1111111111 -0.0541 15 C 2.4769 -1.0121 -1.6236 C.ar 1 UNL1111111111 -0.0224 16 C -1.3144 1.1797 0.6412 C.2 1 UNL1111111111 0.7200 17 C -1.8685 -1.7752 0.3580 C.ar 1 UNL1111111111 -0.2377 18 C -1.8807 3.4126 1.4084 C.3 1 UNL1111111111 -0.0936 19 C -1.3796 3.0612 -0.9733 C.3 1 UNL1111111111 -0.1621 20 C 2.8061 1.7318 0.1642 C.ar 1 UNL1111111111 -0.1307 21 C 1.6329 0.1317 1.5529 C.ar 1 UNL1111111111 -0.1213 22 C -3.3847 3.5495 1.0917 C.3 1 UNL1111111111 -0.0995 23 C 3.0057 -1.9505 -0.7379 C.ar 1 UNL1111111111 -0.1012 24 C 3.3077 -0.3512 -2.5358 C.ar 1 UNL1111111111 -0.1555 25 C -3.1604 -1.5862 -0.1661 C.ar 1 UNL1111111111 0.3699 26 C -2.6112 3.9223 -1.2408 C.2 1 UNL1111111111 0.5575 27 C -1.6771 -2.6347 1.4397 C.ar 1 UNL1111111111 0.0362 28 C 3.7561 1.9149 1.1664 C.ar 1 UNL1111111111 -0.1682 29 C 2.5781 0.2975 2.5618 C.ar 1 UNL1111111111 -0.1686 30 C 4.3770 -2.1973 -0.7250 C.ar 1 UNL1111111111 -0.1744 31 C 4.6782 -0.5975 -2.5379 C.ar 1 UNL1111111111 -0.1704 32 C 3.6173 1.1923 2.3441 C.ar 1 UNL1111111111 0.0326 33 C -4.2532 -2.3104 0.3097 C.ar 1 UNL1111111111 -0.4472 34 C -2.7514 -3.3359 1.9646 C.ar 1 UNL1111111111 -0.3271 35 C 5.1838 -1.5096 -1.6205 C.ar 1 UNL1111111111 0.0284 36 C -4.0225 -3.1727 1.3821 C.ar 1 UNL1111111111 0.3414 37 C -4.1488 -0.6263 -2.1540 C.3 1 UNL1111111111 0.1710 38 C -3.3110 -0.1932 -3.3576 C.3 1 UNL1111111111 -0.4727 39 C -5.2153 0.3970 -1.7894 C.3 1 UNL1111111111 -0.4888 40 C -6.3208 -3.7157 1.5946 C.3 1 UNL1111111111 -0.2027 41 H 0.7005 1.5680 -1.4085 H 1 UNL1111111111 0.1599 42 H 0.6886 -0.4634 -2.6798 H 1 UNL1111111111 0.1656 43 H -1.7323 2.9727 2.4227 H 1 UNL1111111111 0.1772 44 H -1.3827 4.4083 1.4183 H 1 UNL1111111111 0.1598 45 H -1.4141 2.2101 -1.6992 H 1 UNL1111111111 0.1839 46 H -0.4800 3.6780 -1.2319 H 1 UNL1111111111 0.1842 47 H 2.9030 2.2762 -0.7739 H 1 UNL1111111111 0.1590 48 H 0.7989 -0.5542 1.7123 H 1 UNL1111111111 0.1715 49 H -3.8784 2.5495 1.1529 H 1 UNL1111111111 0.1634 50 H -3.8794 4.2083 1.8362 H 1 UNL1111111111 0.1463 51 H 2.3427 -2.4911 -0.0582 H 1 UNL1111111111 0.1801 52 H 2.8803 0.3510 -3.2506 H 1 UNL1111111111 0.1556 53 H -0.6804 -2.7610 1.8663 H 1 UNL1111111111 0.1624 54 H -4.3695 4.6572 -0.4506 H 1 UNL1111111111 0.3215 55 H 4.5887 2.6014 1.0167 H 1 UNL1111111111 0.1725 56 H 2.4933 -0.2613 3.4943 H 1 UNL1111111111 0.1758 57 H 4.7984 -2.9129 -0.0202 H 1 UNL1111111111 0.1738 58 H 5.3295 -0.0871 -3.2445 H 1 UNL1111111111 0.1695 59 H -5.2306 -2.1743 -0.1282 H 1 UNL1111111111 0.1773 60 H -2.6298 -4.0054 2.8099 H 1 UNL1111111111 0.1788 61 H -4.5635 -1.6474 -2.2798 H 1 UNL1111111111 0.1253 62 H -2.9383 0.8320 -3.2322 H 1 UNL1111111111 0.1605 63 H -3.8922 -0.2318 -4.2833 H 1 UNL1111111111 0.1554 64 H -2.4299 -0.8412 -3.4761 H 1 UNL1111111111 0.1668 65 H -4.7571 1.3549 -1.5114 H 1 UNL1111111111 0.1649 66 H -5.8916 0.5845 -2.6282 H 1 UNL1111111111 0.1589 67 H -5.8094 0.0734 -0.9289 H 1 UNL1111111111 0.1536 68 H -6.6263 -2.7000 1.8624 H 1 UNL1111111111 0.1375 69 H -6.4727 -3.9187 0.5303 H 1 UNL1111111111 0.1351 70 H -6.8613 -4.4530 2.2078 H 1 UNL1111111111 0.1527 @BOND 1 1 32 1 2 2 35 1 3 3 16 2 4 4 25 1 5 4 37 1 6 5 26 2 7 6 36 1 8 6 40 1 9 7 11 1 10 7 13 1 11 7 16 am 12 8 12 1 13 8 13 2 14 9 16 am 15 9 18 1 16 9 19 1 17 10 22 1 18 10 26 am 19 10 54 1 20 11 12 1 21 11 14 1 22 11 41 1 23 12 15 1 24 12 42 1 25 13 17 1 26 14 20 ar 27 14 21 ar 28 15 23 ar 29 15 24 ar 30 17 25 ar 31 17 27 ar 32 18 22 1 33 18 43 1 34 18 44 1 35 19 26 1 36 19 45 1 37 19 46 1 38 20 28 ar 39 20 47 1 40 21 29 ar 41 21 48 1 42 22 49 1 43 22 50 1 44 23 30 ar 45 23 51 1 46 24 31 ar 47 24 52 1 48 25 33 ar 49 27 34 ar 50 27 53 1 51 28 32 ar 52 28 55 1 53 29 32 ar 54 29 56 1 55 30 35 ar 56 30 57 1 57 31 35 ar 58 31 58 1 59 33 36 ar 60 33 59 1 61 34 36 ar 62 34 60 1 63 37 38 1 64 37 39 1 65 37 61 1 66 38 62 1 67 38 63 1 68 38 64 1 69 39 65 1 70 39 66 1 71 39 67 1 72 40 68 1 73 40 69 1 74 40 70 1