@MOLECULE 2,3,6,7,10,11-triphenylenehexol 36 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8352 -1.4865 0.0091 O.3 1 UNL1111111111 -0.4905 2 O -3.3354 -3.7621 -0.0101 O.3 1 UNL1111111111 -0.4500 3 O -1.5992 4.7580 0.0044 O.3 1 UNL1111111111 -0.4501 4 O 3.7231 -3.4339 -0.0213 O.3 1 UNL1111111111 -0.4903 5 O 1.1229 4.9321 -0.0256 O.3 1 UNL1111111111 -0.4899 6 O 4.9224 -0.9894 0.0272 O.3 1 UNL1111111111 -0.4496 7 C -1.4262 -0.0625 0.0033 C.ar 1 UNL1111111111 -0.0046 8 C -0.6859 -1.2588 -0.0057 C.ar 1 UNL1111111111 0.0131 9 C -0.7446 1.2200 0.0039 C.ar 1 UNL1111111111 0.0130 10 C 0.7677 -1.2132 -0.0058 C.ar 1 UNL1111111111 -0.0044 11 C 0.6614 1.2650 0.0021 C.ar 1 UNL1111111111 -0.0048 12 C 1.4272 0.0308 0.0038 C.ar 1 UNL1111111111 0.0130 13 C -2.8376 -0.1182 0.0112 C.ar 1 UNL1111111111 -0.2404 14 C -1.3629 -2.4977 -0.0102 C.ar 1 UNL1111111111 -0.2221 15 C -1.4813 2.4233 0.0033 C.ar 1 UNL1111111111 -0.2224 16 C 1.5271 -2.4040 -0.0126 C.ar 1 UNL1111111111 -0.2392 17 C 1.3171 2.5164 -0.0049 C.ar 1 UNL1111111111 -0.2396 18 C 2.8377 0.0711 0.0149 C.ar 1 UNL1111111111 -0.2226 19 C -3.4813 -1.3350 0.0074 C.ar 1 UNL1111111111 0.1502 20 C -2.7434 -2.5420 -0.0040 C.ar 1 UNL1111111111 0.2145 21 C -0.8312 3.6415 -0.0003 C.ar 1 UNL1111111111 0.2148 22 C 2.9032 -2.3453 -0.0053 C.ar 1 UNL1111111111 0.1497 23 C 0.5829 3.6812 -0.0074 C.ar 1 UNL1111111111 0.1498 24 C 3.5713 -1.0984 0.0118 C.ar 1 UNL1111111111 0.2140 25 H -3.4214 0.8008 0.0193 H 1 UNL1111111111 0.1688 26 H -0.8148 -3.4394 -0.0175 H 1 UNL1111111111 0.1775 27 H -2.5711 2.4194 0.0056 H 1 UNL1111111111 0.1777 28 H 1.0271 -3.3708 -0.0253 H 1 UNL1111111111 0.1688 29 H 2.4048 2.5642 -0.0114 H 1 UNL1111111111 0.1688 30 H 3.3760 1.0186 0.0271 H 1 UNL1111111111 0.1777 31 H -5.3013 -0.6171 0.0666 H 1 UNL1111111111 0.3405 32 H -4.3255 -3.6779 0.0226 H 1 UNL1111111111 0.3429 33 H -1.0377 5.5784 0.0034 H 1 UNL1111111111 0.3428 34 H 3.2132 -4.2778 0.0412 H 1 UNL1111111111 0.3402 35 H 2.1086 4.9063 0.0370 H 1 UNL1111111111 0.3402 36 H 5.3507 -1.8868 0.0256 H 1 UNL1111111111 0.3426 @BOND 1 1 19 1 2 1 31 1 3 2 20 1 4 2 32 1 5 3 21 1 6 3 33 1 7 4 22 1 8 4 34 1 9 5 23 1 10 5 35 1 11 6 24 1 12 6 36 1 13 7 8 ar 14 7 9 ar 15 7 13 ar 16 8 10 ar 17 8 14 ar 18 9 11 ar 19 9 15 ar 20 10 12 ar 21 10 16 ar 22 11 12 ar 23 11 17 ar 24 12 18 ar 25 13 19 ar 26 13 25 1 27 14 20 ar 28 14 26 1 29 15 21 ar 30 15 27 1 31 16 22 ar 32 16 28 1 33 17 23 ar 34 17 29 1 35 18 24 ar 36 18 30 1 37 19 20 ar 38 21 23 ar 39 22 24 ar