@MOLECULE 4-(5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5h-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)benzoic acid 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.6801 -0.6169 -0.6075 O.3 1 UNL1111111111 -0.5620 2 O -7.2204 -2.7324 -0.0991 O.2 1 UNL1111111111 -0.5060 3 N 0.5745 1.8669 -1.0984 N.pl3 1 UNL1111111111 -0.4023 4 N -0.4712 -0.6709 -0.2077 N.2 1 UNL1111111111 -0.3573 5 C 5.1874 0.1999 -0.2824 C.3 1 UNL1111111111 0.1006 6 C 3.9866 -2.4898 0.4842 C.3 1 UNL1111111111 0.1104 7 C 5.9572 -0.9041 0.4707 C.3 1 UNL1111111111 -0.2890 8 C 5.4600 -2.2908 0.0748 C.3 1 UNL1111111111 -0.2915 9 C 3.6958 -0.0611 -0.2691 C.ar 1 UNL1111111111 0.0058 10 C 3.1442 -1.2926 0.0996 C.ar 1 UNL1111111111 -0.0483 11 C 5.5006 1.5379 0.4169 C.3 1 UNL1111111111 -0.4603 12 C 5.6531 0.2642 -1.7479 C.3 1 UNL1111111111 -0.4550 13 C 3.4759 -3.7542 -0.2346 C.3 1 UNL1111111111 -0.4626 14 C 3.8803 -2.6870 2.0071 C.3 1 UNL1111111111 -0.4567 15 C 2.8498 0.9825 -0.6584 C.ar 1 UNL1111111111 -0.2439 16 C 1.7558 -1.4343 0.1363 C.ar 1 UNL1111111111 -0.1392 17 C 1.4636 0.8404 -0.6450 C.ar 1 UNL1111111111 0.1263 18 C 0.9026 -0.3858 -0.2191 C.ar 1 UNL1111111111 0.0845 19 C -0.2235 2.4144 -0.0502 C.ar 1 UNL1111111111 0.2243 20 C -1.3853 0.1878 0.0848 C.2 1 UNL1111111111 0.2154 21 C -1.1981 1.5817 0.5344 C.ar 1 UNL1111111111 -0.1638 22 C 1.1442 2.8290 -2.0534 C.3 1 UNL1111111111 -0.2512 23 C -0.1080 3.7475 0.3685 C.ar 1 UNL1111111111 -0.2564 24 C -2.7926 -0.2777 -0.0180 C.ar 1 UNL1111111111 0.0256 25 C -2.0063 2.0848 1.5549 C.ar 1 UNL1111111111 -0.0851 26 C -0.9370 4.2352 1.3727 C.ar 1 UNL1111111111 -0.0804 27 C -1.8788 3.4042 1.9767 C.ar 1 UNL1111111111 -0.1990 28 C -3.7430 0.5406 -0.6348 C.ar 1 UNL1111111111 -0.1691 29 C -3.1545 -1.5282 0.4899 C.ar 1 UNL1111111111 -0.1409 30 C -5.0649 0.1171 -0.7271 C.ar 1 UNL1111111111 -0.0716 31 C -4.4747 -1.9555 0.3931 C.ar 1 UNL1111111111 -0.0903 32 C -5.4269 -1.1278 -0.2079 C.ar 1 UNL1111111111 -0.1430 33 C -6.8106 -1.6147 -0.2862 C.2 1 UNL1111111111 0.6387 34 H 5.8435 -0.7614 1.5629 H 1 UNL1111111111 0.1447 35 H 7.0396 -0.8129 0.2680 H 1 UNL1111111111 0.1352 36 H 5.5677 -2.4326 -1.0178 H 1 UNL1111111111 0.1437 37 H 6.0889 -3.0705 0.5411 H 1 UNL1111111111 0.1357 38 H 5.1575 2.3974 -0.1667 H 1 UNL1111111111 0.1444 39 H 5.0169 1.5911 1.3991 H 1 UNL1111111111 0.1524 40 H 6.5781 1.6615 0.5667 H 1 UNL1111111111 0.1448 41 H 6.7304 0.4432 -1.8152 H 1 UNL1111111111 0.1438 42 H 5.4354 -0.6728 -2.2732 H 1 UNL1111111111 0.1511 43 H 5.1480 1.0666 -2.2950 H 1 UNL1111111111 0.1460 44 H 2.4969 -4.0720 0.1391 H 1 UNL1111111111 0.1502 45 H 3.3737 -3.5803 -1.3120 H 1 UNL1111111111 0.1524 46 H 4.1628 -4.5941 -0.0931 H 1 UNL1111111111 0.1424 47 H 4.4886 -3.5318 2.3427 H 1 UNL1111111111 0.1423 48 H 4.2178 -1.7948 2.5465 H 1 UNL1111111111 0.1494 49 H 2.8459 -2.8778 2.3137 H 1 UNL1111111111 0.1494 50 H 3.2887 1.9295 -0.9695 H 1 UNL1111111111 0.1650 51 H 1.3045 -2.3814 0.4437 H 1 UNL1111111111 0.1769 52 H 1.9133 3.4964 -1.6343 H 1 UNL1111111111 0.1275 53 H 0.3255 3.4457 -2.4666 H 1 UNL1111111111 0.1561 54 H 1.5867 2.2652 -2.8965 H 1 UNL1111111111 0.1629 55 H 0.6369 4.4021 -0.0763 H 1 UNL1111111111 0.1629 56 H -2.7492 1.4352 2.0231 H 1 UNL1111111111 0.1626 57 H -0.8427 5.2723 1.6943 H 1 UNL1111111111 0.1500 58 H -2.5142 3.7858 2.7727 H 1 UNL1111111111 0.1588 59 H -3.4461 1.5061 -1.0452 H 1 UNL1111111111 0.1689 60 H -2.3959 -2.1681 0.9441 H 1 UNL1111111111 0.1768 61 H -5.8154 0.7529 -1.2021 H 1 UNL1111111111 0.1713 62 H -4.7699 -2.9345 0.7779 H 1 UNL1111111111 0.1703 63 H -8.6181 -0.9237 -0.6681 H 1 UNL1111111111 0.3557 @BOND 1 1 33 1 2 1 63 1 3 2 33 2 4 3 17 1 5 3 19 1 6 3 22 1 7 4 18 1 8 4 20 2 9 5 7 1 10 5 9 1 11 5 11 1 12 5 12 1 13 6 8 1 14 6 10 1 15 6 13 1 16 6 14 1 17 7 8 1 18 7 34 1 19 7 35 1 20 8 36 1 21 8 37 1 22 9 10 ar 23 9 15 ar 24 10 16 ar 25 11 38 1 26 11 39 1 27 11 40 1 28 12 41 1 29 12 42 1 30 12 43 1 31 13 44 1 32 13 45 1 33 13 46 1 34 14 47 1 35 14 48 1 36 14 49 1 37 15 17 ar 38 15 50 1 39 16 18 ar 40 16 51 1 41 17 18 ar 42 19 21 ar 43 19 23 ar 44 20 21 1 45 20 24 1 46 21 25 ar 47 22 52 1 48 22 53 1 49 22 54 1 50 23 26 ar 51 23 55 1 52 24 28 ar 53 24 29 ar 54 25 27 ar 55 25 56 1 56 26 27 ar 57 26 57 1 58 27 58 1 59 28 30 ar 60 28 59 1 61 29 31 ar 62 29 60 1 63 30 32 ar 64 30 61 1 65 31 32 ar 66 31 62 1 67 32 33 1