@MOLECULE **** 65 65 1 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2735 4.8909 -5.0027 C.3 1 **** 0.0000 2 C -2.6637 3.4763 -4.5952 C.3 1 **** 0.0000 3 C -1.7885 3.0218 -3.4346 C.3 1 **** 0.0000 4 C -2.1788 1.6072 -3.0272 C.3 1 **** 0.0000 5 C -1.3036 1.1527 -1.8666 C.3 1 **** 0.0000 6 C -1.6949 -0.2620 -1.4602 C.3 1 **** 0.0000 7 O 0.0418 1.1717 -2.2607 O.3 1 **** 0.0000 8 C -1.4992 2.0923 -0.6840 C.3 1 **** 0.0000 9 C -0.6390 1.6456 0.4568 C.2 1 **** 0.0000 10 C -0.6482 2.3262 1.6075 C.2 1 **** 0.0000 11 C 0.2120 1.8795 2.7483 C.3 1 **** 0.0000 12 C 0.0419 2.7972 3.9499 C.3 1 **** 0.0000 13 O 0.9616 3.8538 3.8927 O.3 1 **** 0.0000 14 C 0.3103 1.9221 5.1737 C.3 1 **** 0.0000 15 C 0.3598 0.4815 4.6690 C.2 1 **** 0.0000 16 O 0.7843 -0.4866 5.2537 O.2 1 **** 0.0000 17 C -0.2399 0.5277 3.2725 C.3 1 **** 0.0000 18 C 0.3022 -0.6026 2.4076 C.3 1 **** 0.0000 19 C -0.3198 -0.5238 1.0196 C.3 1 **** 0.0000 20 C 0.2224 -1.6541 0.1547 C.3 1 **** 0.0000 21 C 1.2063 -2.4874 0.9652 C.3 1 **** 0.0000 22 C 1.7485 -3.6177 0.1003 C.3 1 **** 0.0000 23 C 2.7324 -4.4510 0.9108 C.3 1 **** 0.0000 24 C 3.2696 -5.5709 0.0538 C.2 1 **** 0.0000 25 O 4.0697 -6.3514 0.5118 O.2 1 **** 0.0000 26 O 2.8596 -5.6993 -1.2133 O.3 1 **** 0.0000 27 C 3.4885 -6.8017 -1.8090 C.3 1 **** 0.0000 28 H -2.9131 5.2230 -5.8509 H 1 **** 0.0000 29 H -2.4172 5.5781 -4.1391 H 1 **** 0.0000 30 H -1.2055 4.9054 -5.3158 H 1 **** 0.0000 31 H -2.5200 2.7890 -5.4589 H 1 **** 0.0000 32 H -3.7317 3.4618 -4.2822 H 1 **** 0.0000 33 H -1.9323 3.7090 -2.5710 H 1 **** 0.0000 34 H -0.7206 3.0363 -3.7477 H 1 **** 0.0000 35 H -2.0350 0.9199 -3.8908 H 1 **** 0.0000 36 H -3.2467 1.5927 -2.7141 H 1 **** 0.0000 37 H -1.0558 -0.5951 -0.6120 H 1 **** 0.0000 38 H -1.5513 -0.9487 -2.3242 H 1 **** 0.0000 39 H -2.7630 -0.2759 -1.1476 H 1 **** 0.0000 40 H 0.5483 0.8859 -1.5196 H 1 **** 0.0000 41 H -1.2132 3.1261 -0.9810 H 1 **** 0.0000 42 H -2.5672 2.0772 -0.3711 H 1 **** 0.0000 43 H 0.0008 0.7573 0.3483 H 1 **** 0.0000 44 H -1.2880 3.2144 1.7160 H 1 **** 0.0000 45 H 1.2528 1.8674 2.3540 H 1 **** 0.0000 46 H -0.9736 3.2515 3.9819 H 1 **** 0.0000 47 H 0.8135 4.3873 4.6548 H 1 **** 0.0000 48 H -0.5081 2.0409 5.9186 H 1 **** 0.0000 49 H 1.2623 2.2081 5.6743 H 1 **** 0.0000 50 H -1.3460 0.4036 3.2669 H 1 **** 0.0000 51 H 0.0466 -1.5807 2.8732 H 1 **** 0.0000 52 H 1.4081 -0.5081 2.3243 H 1 **** 0.0000 53 H -0.0641 0.4542 0.5541 H 1 **** 0.0000 54 H -1.4256 -0.6183 1.1029 H 1 **** 0.0000 55 H -0.6196 -2.2992 -0.1825 H 1 **** 0.0000 56 H 0.7413 -1.2262 -0.7321 H 1 **** 0.0000 57 H 2.0483 -1.8424 1.3024 H 1 **** 0.0000 58 H 0.6874 -2.9153 1.8520 H 1 **** 0.0000 59 H 0.9065 -4.2628 -0.2369 H 1 **** 0.0000 60 H 2.2674 -3.1898 -0.7865 H 1 **** 0.0000 61 H 3.5744 -3.8059 1.2480 H 1 **** 0.0000 62 H 2.2135 -4.8789 1.7976 H 1 **** 0.0000 63 H 3.1429 -6.9023 -2.8622 H 1 **** 0.0000 64 H 4.5913 -6.6521 -1.7936 H 1 **** 0.0000 65 H 3.2306 -7.7255 -1.2443 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 1 30 1 5 2 3 1 6 2 31 1 7 2 32 1 8 3 4 1 9 3 33 1 10 3 34 1 11 4 5 1 12 4 35 1 13 4 36 1 14 5 6 1 15 5 7 1 16 5 8 1 17 6 37 1 18 6 38 1 19 6 39 1 20 7 40 1 21 8 9 1 22 8 41 1 23 8 42 1 24 9 10 2 25 9 43 1 26 10 11 1 27 10 44 1 28 11 12 1 29 11 17 1 30 11 45 1 31 12 13 1 32 12 14 1 33 12 46 1 34 13 47 1 35 14 15 1 36 14 48 1 37 14 49 1 38 15 16 2 39 15 17 1 40 17 18 1 41 17 50 1 42 18 19 1 43 18 51 1 44 18 52 1 45 19 20 1 46 19 53 1 47 19 54 1 48 20 21 1 49 20 55 1 50 20 56 1 51 21 22 1 52 21 57 1 53 21 58 1 54 22 23 1 55 22 59 1 56 22 60 1 57 23 24 1 58 23 61 1 59 23 62 1 60 24 25 2 61 24 26 1 62 26 27 1 63 27 63 1 64 27 64 1 65 27 65 1