@MOLECULE (1r,2r,4r,5z,12r,13s,16z)-25-(9h-beta-carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]heptacosa-5,16,25-trien-13-ol 45 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.3634 -3.9333 -1.6087 O.2 1 UNL1 -0.3292 2 N 2.0403 -0.8286 -2.1008 N.pl3 1 UNL1 -0.2968 3 N 0.1491 2.8004 -2.6780 N.1 1 UNL1 -0.6661 4 N -2.7723 -2.8562 0.0706 N.2 1 UNL1 -0.2008 5 N -3.3285 0.8649 0.0307 N.pl3 1 UNL1 -0.2199 6 C 0.1778 0.7522 -1.3382 C.3 1 UNL1 -0.1617 7 C 0.7447 -0.6535 -1.5892 C.2 1 UNL1 0.2672 8 C -1.1996 0.4259 -0.8036 C.2 1 UNL1 -0.2567 9 C 1.0151 1.3866 -0.3679 C.1 1 UNL1 -0.0952 10 C 0.1970 -3.0534 -1.0116 C.2 1 UNL1 0.5223 11 C -0.0553 1.4668 -2.7010 C.3 1 UNL1 0.5024 12 C 1.7521 1.8482 0.4818 C.1 1 UNL1 -0.0535 13 C -2.1818 1.4123 -0.4669 C.2 1 UNL1 0.1698 14 C -1.3308 -0.9581 -0.6965 C.2 1 UNL1 0.1537 15 C -0.1231 -1.6146 -1.1482 C.2 1 UNL1 -0.2471 16 C 0.2613 3.9971 -2.7386 C.1 1 UNL1 0.4224 17 C 2.9495 -0.7765 -1.2480 C.3 1 UNL1 0.1894 18 C 1.2868 -3.2671 -0.0972 C.1 1 UNL1 -0.1589 19 C 2.5067 2.4282 1.5119 C.2 1 UNL1 -0.1112 20 C 8.3627 2.6005 0.4177 C.3 1 UNL1 0.4869 21 C -2.5442 -1.4926 -0.1458 C.2 1 UNL1 0.0700 22 C 3.6802 -0.7066 -0.1895 C.2 1 UNL1 -0.2109 23 C 2.2300 -3.3743 0.6617 C.1 1 UNL1 -0.0193 24 C 3.7943 2.2254 1.8395 C.2 1 UNL1 -0.0831 25 C 4.3994 0.0147 0.8432 C.3 1 UNL1 0.0794 26 C 7.1711 2.1854 0.6990 C.1 1 UNL1 -0.7217 27 C 4.7683 1.3376 1.2029 C.3 1 UNL1 -0.2237 28 C -3.5186 -0.5183 0.1949 C.3 1 UNL1 -0.0330 29 C 3.3196 -3.4834 1.5438 C.2 1 UNL1 -0.0703 30 C 5.9943 1.7698 0.9531 C.1 1 UNL1 0.4342 31 C -4.8382 -0.8068 0.7741 C.2 1 UNL1 0.0853 32 C 4.2369 -1.2978 1.0186 C.2 1 UNL1 0.0407 33 C 4.2578 -2.5279 1.7218 C.2 1 UNL1 -0.1131 34 C -3.9724 -2.9334 0.5745 C.2 1 UNL1 0.1470 35 C -4.9274 -2.1485 0.9130 C.2 1 UNL1 -0.1022 36 C -5.4909 0.4479 0.9690 C.ar 1 UNL1 -0.0522 37 C -4.4893 1.5138 0.4806 C.ar 1 UNL1 0.2035 38 C -6.6448 0.9891 1.4237 C.ar 1 UNL1 0.0046 39 C -4.9366 2.7883 0.5950 C.ar 1 UNL1 -0.1008 40 C -6.9505 2.2344 1.4781 C.ar 1 UNL1 -0.0178 41 C -6.0793 3.1480 1.0557 C.ar 1 UNL1 0.0730 42 H 1.9156 3.1413 2.1200 H 1 UNL1 0.1817 43 H 4.2153 2.7823 2.6889 H 1 UNL1 0.1601 44 H 3.3656 -4.4224 2.1163 H 1 UNL1 0.1762 45 H 5.0748 -2.6607 2.4402 H 1 UNL1 0.1753 @BOND 1 16 3 3 2 11 3 1 3 11 6 1 4 2 7 1 5 2 17 1 6 1 10 2 7 7 6 1 8 7 15 2 9 6 8 1 10 6 9 1 11 17 22 1 12 15 10 1 13 15 14 1 14 10 18 1 15 8 14 1 16 8 13 2 17 14 21 2 18 13 5 1 19 9 12 3 20 22 25 1 21 22 32 2 22 21 4 1 23 21 28 1 24 18 23 3 25 5 28 1 26 5 37 1 27 4 34 2 28 28 31 1 29 20 26 1 30 37 39 ar 31 37 36 ar 32 12 19 1 33 34 35 1 34 39 41 ar 35 23 29 1 36 26 30 3 37 31 35 2 38 31 36 1 39 25 32 1 40 25 27 1 41 30 27 1 42 36 38 ar 43 32 33 1 44 41 40 ar 45 27 24 1 46 38 40 ar 47 19 24 2 48 19 42 1 49 29 33 2 50 29 44 1 51 33 45 1 52 24 43 1