@MOLECULE **** 40 40 1 0 0 SMALL USER_CHARGES @ATOM 1 C 2.9526 -1.4421 5.1630 C.3 1 **** 0.0000 2 C 1.8788 -0.8671 4.2928 C.ar 1 **** 0.0000 3 C 1.9772 -0.9678 2.9051 C.ar 1 **** 0.0000 4 C 0.9766 -0.4319 2.0943 C.ar 1 **** 0.0000 5 C -0.1222 0.2047 2.6713 C.ar 1 **** 0.0000 6 C -0.2206 0.3054 4.0589 C.ar 1 **** 0.0000 7 C 0.7800 -0.2305 4.8697 C.ar 1 **** 0.0000 8 C -1.1960 0.7798 1.8011 C.3 1 **** 0.0000 9 O 1.0722 -0.5296 0.7462 O.3 1 **** 0.0000 10 C -0.0316 0.0705 0.1241 C.3 1 **** 0.0000 11 C 0.1058 -0.0561 -1.3874 C.3 1 **** 0.0000 12 C -1.0932 0.5959 -2.0633 C.3 1 **** 0.0000 13 C -0.9558 0.4693 -3.5748 C.3 1 **** 0.0000 14 C 0.3215 1.1632 -4.0291 C.3 1 **** 0.0000 15 C -2.1550 1.1224 -4.2493 C.3 1 **** 0.0000 16 C -0.8972 -0.9902 -3.9538 C.2 1 **** 0.0000 17 O -0.7880 -1.3091 -5.1138 O.2 1 **** 0.0000 18 O -0.9661 -1.9311 -3.0050 O.3 1 **** 0.0000 19 H 3.7390 -1.9051 4.5258 H 1 **** 0.0000 20 H 3.4039 -0.6322 5.7786 H 1 **** 0.0000 21 H 2.5135 -2.2163 5.8312 H 1 **** 0.0000 22 H 2.8437 -1.4699 2.4502 H 1 **** 0.0000 23 H -1.0872 0.8074 4.5139 H 1 **** 0.0000 24 H 0.7024 -0.1511 5.9641 H 1 **** 0.0000 25 H -0.9425 0.6024 0.7319 H 1 **** 0.0000 26 H -2.1668 0.2899 2.0379 H 1 **** 0.0000 27 H -1.2768 1.8743 1.9863 H 1 **** 0.0000 28 H -0.9649 -0.4375 0.4551 H 1 **** 0.0000 29 H -0.0749 1.1470 0.4036 H 1 **** 0.0000 30 H 1.0392 0.4519 -1.7184 H 1 **** 0.0000 31 H 0.1491 -1.1325 -1.6670 H 1 **** 0.0000 32 H -2.0266 0.0879 -1.7323 H 1 **** 0.0000 33 H -1.1365 1.6723 -1.7837 H 1 **** 0.0000 34 H 0.4219 1.0707 -5.1337 H 1 **** 0.0000 35 H 1.1978 0.6859 -3.5361 H 1 **** 0.0000 36 H 0.2782 2.2397 -3.7495 H 1 **** 0.0000 37 H -2.0556 1.0304 -5.3540 H 1 **** 0.0000 38 H -3.0884 0.6148 -3.9178 H 1 **** 0.0000 39 H -2.1973 2.1987 -3.9691 H 1 **** 0.0000 40 H -0.9103 -2.7844 -3.4670 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 19 1 3 1 20 1 4 1 21 1 5 2 3 1 6 2 7 2 7 3 4 2 8 3 22 1 9 4 5 1 10 4 9 1 11 5 6 2 12 5 8 1 13 6 7 1 14 6 23 1 15 7 24 1 16 8 25 1 17 8 26 1 18 8 27 1 19 9 10 1 20 10 11 1 21 10 28 1 22 10 29 1 23 11 12 1 24 11 30 1 25 11 31 1 26 12 13 1 27 12 32 1 28 12 33 1 29 13 14 1 30 13 15 1 31 13 16 1 32 14 34 1 33 14 35 1 34 14 36 1 35 15 37 1 36 15 38 1 37 15 39 1 38 16 17 2 39 16 18 1 40 18 40 1