@MOLECULE (16alpha)-21-{4-[3,6-bis(diethylamino)-2-pyridinyl]-1-piperazinyl}-16-methylpregna-1,4,9(11)-triene-3,20-dione 103 108 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.5190 -1.0661 0.5049 C.3 1 UNL1 -0.1252 2 C -4.6203 -1.7176 -0.5492 C.3 1 UNL1 -0.1372 3 C -3.1011 -3.4952 -1.2331 C.3 1 UNL1 -0.0638 4 C -2.4345 -2.1052 -1.4628 C.3 1 UNL1 -0.2807 5 C -3.1800 -1.1381 -0.5018 C.3 1 UNL1 0.0880 6 C -6.3253 1.2174 1.3261 C.3 1 UNL1 0.0112 7 C 7.1230 1.5991 -0.2146 C.ar 1 UNL1 -0.0499 8 C 7.4683 1.0610 1.0148 C.ar 1 UNL1 -0.4099 9 C -0.1390 -1.0812 -1.9020 C.3 1 UNL1 -0.2381 10 C 8.1540 -0.4820 3.3900 C.3 1 UNL1 -0.0512 11 C 5.8231 -1.3623 3.4198 C.3 1 UNL1 -0.0363 12 C 5.1151 3.2031 -2.0379 C.3 1 UNL1 -0.0726 13 C 6.6696 1.6309 -3.1292 C.3 1 UNL1 -0.0872 14 C -2.5498 -1.1737 0.8928 C.3 1 UNL1 -0.4654 15 C -5.9803 0.9783 2.8163 C.3 1 UNL1 -0.4379 16 C -3.3618 -4.2013 -2.5615 C.3 1 UNL1 -0.4590 17 C 8.4277 0.6728 4.3627 C.3 1 UNL1 -0.4578 18 C 5.9845 -2.7628 2.8171 C.3 1 UNL1 -0.4761 19 C 3.9043 3.3077 -1.1061 C.3 1 UNL1 -0.4549 20 C 6.0649 1.5305 -4.5360 C.3 1 UNL1 -0.4410 21 C 5.0582 0.3393 -0.1939 C.ar 1 UNL1 0.4191 22 C 5.9336 1.2536 -0.8584 C.ar 1 UNL1 -0.1037 23 C 6.5697 0.1446 1.6124 C.ar 1 UNL1 0.4412 24 O -9.4681 3.7103 0.2066 O.2 1 UNL1 -0.4507 25 O -0.4669 -2.9605 -0.4320 O.2 1 UNL1 -0.4219 26 C -7.9331 -0.7528 1.1887 C.3 1 UNL1 -0.3003 27 C -6.9793 -1.4627 0.2243 C.3 1 UNL1 -0.2684 28 C -4.4194 -3.2334 -0.4573 C.3 1 UNL1 -0.3002 29 C -3.2877 0.3170 -0.9827 C.3 1 UNL1 -0.2997 30 C 1.4631 -0.6798 -0.0982 C.3 1 UNL1 -0.1326 31 C 2.9527 -0.8241 0.2896 C.3 1 UNL1 -0.0817 32 C 3.5793 -0.3967 -2.0206 C.3 1 UNL1 -0.1008 33 C 2.0874 -0.2446 -2.3984 C.3 1 UNL1 -0.1281 34 C -0.9472 -2.1487 -1.1760 C.2 1 UNL1 0.4552 35 C -8.5552 2.9816 0.5261 C.2 1 UNL1 0.4785 36 C -7.1945 3.5068 0.7623 C.2 1 UNL1 -0.2893 37 C -6.1879 2.7053 1.1180 C.2 1 UNL1 -0.0890 38 C -8.7366 1.5338 0.7026 C.2 1 UNL1 -0.3537 39 C -4.3658 1.0338 -0.2255 C.2 1 UNL1 -0.1769 40 N 6.7768 -0.3800 2.8792 N.pl3 1 UNL1 -0.4285 41 N 5.5711 1.7906 -2.1387 N.pl3 1 UNL1 -0.4134 42 N 1.2836 -1.1168 -1.5041 N.3 1 UNL1 -0.3799 43 N 3.7610 0.0273 -0.6170 N.pl3 1 UNL1 -0.3946 44 C -7.7303 0.7237 1.0581 C.2 1 UNL1 0.1074 45 C -5.3465 0.4358 0.4657 C.2 1 UNL1 -0.0288 46 N 5.4074 -0.2094 0.9996 N.ar 1 UNL1 -0.5971 47 H -5.2306 -1.4326 1.5216 H 1 UNL1 0.1515 48 H -5.0506 -1.4862 -1.5578 H 1 UNL1 0.1448 49 H -7.0813 4.5823 0.6322 H 1 UNL1 0.1776 50 H -5.1893 3.1008 1.3170 H 1 UNL1 0.1528 51 H -9.7456 1.1712 0.5118 H 1 UNL1 0.1804 52 H -8.9806 -1.0438 0.9684 H 1 UNL1 0.1564 53 H -7.7545 -1.0830 2.2324 H 1 UNL1 0.1570 54 H -7.2470 -1.2063 -0.8204 H 1 UNL1 0.1509 55 H -7.0933 -2.5592 0.3078 H 1 UNL1 0.1436 56 H -4.3297 -3.5666 0.5891 H 1 UNL1 0.1405 57 H -5.2667 -3.7882 -0.8848 H 1 UNL1 0.1392 58 H -2.4302 -4.1309 -0.6066 H 1 UNL1 0.1594 59 H -2.6064 -1.7838 -2.5133 H 1 UNL1 0.1556 60 H -0.1973 -1.3025 -2.9951 H 1 UNL1 0.1627 61 H -0.6169 -0.0878 -1.7502 H 1 UNL1 0.1370 62 H -2.4760 -2.2008 1.2727 H 1 UNL1 0.1614 63 H -1.5360 -0.7567 0.8906 H 1 UNL1 0.1480 64 H -3.1317 -0.5908 1.6152 H 1 UNL1 0.1530 65 H -2.3220 0.8448 -0.8523 H 1 UNL1 0.1482 66 H -3.5106 0.3584 -2.0690 H 1 UNL1 0.1530 67 H -4.2726 2.1178 -0.2804 H 1 UNL1 0.1500 68 H -6.6554 1.5446 3.4698 H 1 UNL1 0.1592 69 H -6.0616 -0.0787 3.0897 H 1 UNL1 0.1528 70 H -4.9536 1.2926 3.0373 H 1 UNL1 0.1542 71 H -4.0523 -3.6357 -3.1958 H 1 UNL1 0.1439 72 H -2.4325 -4.3472 -3.1246 H 1 UNL1 0.1484 73 H -3.7995 -5.1938 -2.4019 H 1 UNL1 0.1460 74 H 0.8645 -1.3478 0.5605 H 1 UNL1 0.1546 75 H 1.1281 0.3643 0.0747 H 1 UNL1 0.1182 76 H 3.0927 -0.4924 1.3429 H 1 UNL1 0.1596 77 H 3.2657 -1.8900 0.2369 H 1 UNL1 0.1482 78 H 3.9019 -1.4523 -2.1618 H 1 UNL1 0.1390 79 H 4.1924 0.2399 -2.7008 H 1 UNL1 0.1866 80 H 1.7946 0.8252 -2.3425 H 1 UNL1 0.1245 81 H 1.9473 -0.5797 -3.4471 H 1 UNL1 0.1332 82 H 7.7953 2.3173 -0.6883 H 1 UNL1 0.1517 83 H 8.3829 1.3538 1.5096 H 1 UNL1 0.1729 84 H 8.8935 -0.4698 2.5575 H 1 UNL1 0.1390 85 H 8.2962 -1.4570 3.9081 H 1 UNL1 0.1340 86 H 7.7479 0.6375 5.2219 H 1 UNL1 0.1521 87 H 9.4545 0.6391 4.7377 H 1 UNL1 0.1427 88 H 8.2719 1.6453 3.8778 H 1 UNL1 0.1604 89 H 4.7879 -0.9861 3.2259 H 1 UNL1 0.1645 90 H 5.9533 -1.3900 4.5239 H 1 UNL1 0.1266 91 H 5.8187 -2.7325 1.7292 H 1 UNL1 0.1742 92 H 6.9822 -3.1741 2.9881 H 1 UNL1 0.1379 93 H 5.2525 -3.4579 3.2397 H 1 UNL1 0.1483 94 H 4.8282 3.5289 -3.0621 H 1 UNL1 0.1314 95 H 5.9230 3.8804 -1.6875 H 1 UNL1 0.1093 96 H 3.4171 4.2811 -1.1952 H 1 UNL1 0.1371 97 H 3.1675 2.5247 -1.3357 H 1 UNL1 0.1662 98 H 4.1902 3.1585 -0.0574 H 1 UNL1 0.1566 99 H 7.2245 0.6930 -2.9007 H 1 UNL1 0.1419 100 H 7.4078 2.4584 -3.0870 H 1 UNL1 0.1111 101 H 5.3327 0.7156 -4.5901 H 1 UNL1 0.1531 102 H 5.5437 2.4499 -4.8209 H 1 UNL1 0.1425 103 H 6.8424 1.3366 -5.2810 H 1 UNL1 0.1376 @BOND 1 103 20 1 2 102 20 1 3 101 20 1 4 20 13 1 5 81 33 1 6 71 16 1 7 13 100 1 8 13 99 1 9 13 41 1 10 72 16 1 11 94 12 1 12 60 9 1 13 79 32 1 14 16 73 1 15 16 3 1 16 59 4 1 17 33 80 1 18 33 32 1 19 33 42 1 20 78 32 1 21 41 12 1 22 41 22 1 23 66 29 1 24 12 95 1 25 12 19 1 26 32 43 1 27 9 61 1 28 9 42 1 29 9 34 1 30 48 2 1 31 42 30 1 32 4 3 1 33 4 34 1 34 4 5 1 35 97 19 1 36 3 58 1 37 3 28 1 38 96 19 1 39 34 25 2 40 19 98 1 41 29 65 1 42 29 5 1 43 29 39 1 44 57 28 1 45 22 7 ar 46 22 21 ar 47 54 27 1 48 82 7 1 49 43 21 1 50 43 31 1 51 2 5 1 52 2 28 1 53 2 1 1 54 5 14 1 55 28 56 1 56 67 39 1 57 39 45 2 58 7 8 ar 59 21 46 ar 60 30 75 1 61 30 31 1 62 30 74 1 63 24 35 2 64 27 55 1 65 27 1 1 66 27 26 1 67 77 31 1 68 31 76 1 69 45 1 1 70 45 6 1 71 1 47 1 72 51 38 1 73 35 38 1 74 35 36 1 75 49 36 1 76 38 44 2 77 36 37 2 78 63 14 1 79 14 62 1 80 14 64 1 81 52 26 1 82 46 23 ar 83 8 83 1 84 8 23 ar 85 44 26 1 86 44 6 1 87 37 50 1 88 37 6 1 89 26 53 1 90 6 15 1 91 23 40 1 92 91 18 1 93 84 10 1 94 15 70 1 95 15 69 1 96 15 68 1 97 18 92 1 98 18 93 1 99 18 11 1 100 40 10 1 101 40 11 1 102 89 11 1 103 10 85 1 104 10 17 1 105 11 90 1 106 88 17 1 107 17 87 1 108 17 86 1