@MOLECULE (2s)-2-aminopropyl n~2~-{[2-(2-naphthyl)-1h-benzo[g]indol-3-yl]acetyl}-l-lysinate 76 80 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.1479 -0.4265 0.0795 C.3 1 UNL1 0.0289 2 C 7.3848 -2.1700 -0.3038 C.3 1 UNL1 0.0648 3 C -1.9467 -3.6029 0.8541 C.ar 1 UNL1 -0.0773 4 C -2.8358 -4.5372 0.4068 C.ar 1 UNL1 -0.2071 5 C -5.5800 -2.4599 -1.1255 C.ar 1 UNL1 -0.1539 6 C -3.0441 2.3441 0.9037 C.ar 1 UNL1 -0.1600 7 C -0.7744 1.9624 0.1398 C.ar 1 UNL1 -0.1455 8 C -4.9581 -5.1580 -0.7108 C.ar 1 UNL1 -0.1531 9 C -0.5275 3.3092 0.1348 C.ar 1 UNL1 -0.1593 10 C -6.4420 -3.4440 -1.5552 C.ar 1 UNL1 -0.1477 11 C -6.1260 -4.8027 -1.3482 C.ar 1 UNL1 -0.1457 12 C -3.8204 4.6648 1.2916 C.ar 1 UNL1 -0.1530 13 C -1.3043 5.6347 0.5228 C.ar 1 UNL1 -0.1617 14 C -3.5674 6.0114 1.2939 C.ar 1 UNL1 -0.1458 15 C -2.2946 6.5022 0.9056 C.ar 1 UNL1 -0.1382 16 C -0.2594 -0.9507 1.7251 C.3 1 UNL1 -0.3296 17 C 3.5217 0.9303 -0.5515 C.3 1 UNL1 -0.2952 18 C 2.5420 1.2768 -1.6784 C.3 1 UNL1 -0.2606 19 C 2.5761 2.7748 -1.9881 C.3 1 UNL1 -0.2754 20 C 1.5475 3.1096 -3.0845 C.3 1 UNL1 -0.1033 21 C 6.3283 -2.1612 0.8280 C.3 1 UNL1 -0.0897 22 C 8.6347 -2.9058 0.1855 C.3 1 UNL1 -0.4683 23 H -4.1463 0.0752 -0.5636 H 1 UNL1 0.3146 24 H 2.0222 0.3705 1.6782 H 1 UNL1 0.3225 25 H 1.1595 4.7971 -4.2329 H 1 UNL1 0.2481 26 H 1.2341 5.1123 -2.6288 H 1 UNL1 0.2450 27 H 6.9219 -0.2861 -1.0041 H 1 UNL1 0.2545 28 H 8.2548 -0.2983 -0.0480 H 1 UNL1 0.2474 29 C -1.5306 -1.0277 0.9782 C.ar 1 UNL1 -0.0679 30 C -2.2907 0.0379 0.4909 C.ar 1 UNL1 0.0534 31 C -2.0504 1.4700 0.5246 C.ar 1 UNL1 -0.0073 32 O 0.9546 -2.0670 -0.0434 O.2 1 UNL1 -0.5040 33 O 4.5305 -0.5880 2.0986 O.2 1 UNL1 -0.5061 34 C 0.9090 -1.1897 0.7879 C.2 1 UNL1 0.5983 35 C 4.3253 -0.8716 0.9489 C.2 1 UNL1 0.5550 36 O 5.1563 -1.6303 0.2027 O.3 1 UNL1 -0.4350 37 N 1.6231 4.5592 -3.3728 N.3 1 UNL1 -0.6534 38 N 7.7438 -0.8099 -0.7478 N.3 1 UNL1 -0.6455 39 N 1.9704 -0.3003 0.9270 N.am 1 UNL1 -0.6194 40 C -2.2329 -2.2304 0.6543 C.ar 1 UNL1 -0.0733 41 C -3.4254 -1.8532 -0.0172 C.ar 1 UNL1 0.0690 42 C -4.3744 -2.8082 -0.4790 C.ar 1 UNL1 -0.0407 43 C -4.0539 -4.1671 -0.2579 C.ar 1 UNL1 0.0246 44 C -2.8065 3.7434 0.9059 C.ar 1 UNL1 -0.0063 45 C -1.5395 4.2318 0.5180 C.ar 1 UNL1 -0.0029 46 N -3.4522 -0.4694 -0.1062 N.ar 1 UNL1 -0.3344 47 H -0.1792 0.0181 2.2646 H 1 UNL1 0.1717 48 H -0.2313 -1.7328 2.5202 H 1 UNL1 0.1856 49 H 2.9590 -1.1972 -0.7284 H 1 UNL1 0.2095 50 H 3.5237 1.7240 0.2214 H 1 UNL1 0.1550 51 H 4.5541 0.8947 -0.9483 H 1 UNL1 0.1473 52 H 2.7847 0.6896 -2.5852 H 1 UNL1 0.1441 53 H 1.5132 0.9706 -1.3972 H 1 UNL1 0.1522 54 H -1.0109 -3.8805 1.3374 H 1 UNL1 0.1627 55 H -2.6363 -5.5989 0.5375 H 1 UNL1 0.1565 56 H 2.3713 3.3684 -1.0784 H 1 UNL1 0.1359 57 H 3.5844 3.0869 -2.3234 H 1 UNL1 0.1544 58 H -5.8212 -1.4122 -1.2819 H 1 UNL1 0.1427 59 H -4.0207 1.9797 1.2191 H 1 UNL1 0.1584 60 H -0.0052 1.2474 -0.1611 H 1 UNL1 0.1728 61 H -4.7144 -6.2061 -0.5477 H 1 UNL1 0.1534 62 H 1.7940 2.5536 -4.0151 H 1 UNL1 0.1376 63 H 0.5314 2.7849 -2.7718 H 1 UNL1 0.1147 64 H 0.4460 3.6961 -0.1654 H 1 UNL1 0.1563 65 H -7.3716 -3.1849 -2.0572 H 1 UNL1 0.1494 66 H -6.8181 -5.5660 -1.6987 H 1 UNL1 0.1486 67 H 6.0642 -3.1749 1.1707 H 1 UNL1 0.1433 68 H 6.6326 -1.5488 1.6939 H 1 UNL1 0.1479 69 H -4.7953 4.2787 1.5845 H 1 UNL1 0.1551 70 H -0.3251 6.0019 0.2228 H 1 UNL1 0.1528 71 H 6.9528 -2.6974 -1.1983 H 1 UNL1 0.1587 72 H -4.3347 6.7240 1.5922 H 1 UNL1 0.1533 73 H -2.1211 7.5770 0.9185 H 1 UNL1 0.1533 74 H 9.0488 -2.4625 1.0971 H 1 UNL1 0.1480 75 H 8.4291 -3.9622 0.3852 H 1 UNL1 0.1504 76 H 9.4230 -2.8633 -0.5811 H 1 UNL1 0.1688 @BOND 1 25 37 1 2 62 20 1 3 37 20 1 4 37 26 1 5 20 63 1 6 20 19 1 7 52 18 1 8 57 19 1 9 65 10 1 10 19 18 1 11 19 56 1 12 66 11 1 13 18 53 1 14 18 17 1 15 10 11 ar 16 10 5 ar 17 11 8 ar 18 58 5 1 19 71 2 1 20 5 42 ar 21 27 38 1 22 51 17 1 23 38 2 1 24 38 28 1 25 49 1 1 26 8 61 1 27 8 43 ar 28 76 22 1 29 23 46 1 30 17 1 1 31 17 50 1 32 42 43 ar 33 42 41 ar 34 2 22 1 35 2 21 1 36 43 4 ar 37 64 9 1 38 60 7 1 39 46 41 ar 40 46 30 ar 41 32 34 2 42 41 40 ar 43 1 39 1 44 1 35 1 45 9 7 ar 46 9 45 ar 47 7 31 ar 48 22 75 1 49 22 74 1 50 36 21 1 51 36 35 1 52 70 13 1 53 4 55 1 54 4 3 ar 55 30 31 1 56 30 29 ar 57 45 13 ar 58 45 44 ar 59 13 15 ar 60 31 6 ar 61 40 3 ar 62 40 29 ar 63 34 39 am 64 34 16 1 65 21 67 1 66 21 68 1 67 3 54 1 68 6 44 ar 69 6 59 1 70 15 73 1 71 15 14 ar 72 44 12 ar 73 39 24 1 74 35 33 2 75 29 16 1 76 12 14 ar 77 12 69 1 78 14 72 1 79 16 47 1 80 16 48 1