@MOLECULE cyclopentanetetrone, diphenyl- 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8147 0.0202 -2.3590 O.2 1 UNL1111 -0.3047 2 O 0.7632 0.3205 2.3539 O.2 1 UNL1111 -0.3034 3 O 3.5286 0.4951 -1.4662 O.2 1 UNL1111 -0.2331 4 O 3.5111 0.5887 1.4724 O.2 1 UNL1111 -0.2334 5 C 0.2128 0.0484 -0.0013 C.3 1 UNL1111 -0.1819 6 C -0.4307 -1.3163 -0.0227 C.ar 1 UNL1111 -0.0186 7 C -0.8544 1.1141 0.0194 C.ar 1 UNL1111 -0.0178 8 C 1.1408 0.1366 -1.2185 C.2 1 UNL1111 0.3447 9 C 1.1176 0.2697 1.2170 C.2 1 UNL1111 0.3441 10 C 2.5789 0.3770 -0.7572 C.2 1 UNL1111 0.2235 11 C 2.5672 0.4413 0.7611 C.2 1 UNL1111 0.2236 12 C -1.2986 -1.6158 -1.0786 C.ar 1 UNL1111 -0.1335 13 C -1.7797 1.0951 1.0685 C.ar 1 UNL1111 -0.1327 14 C -0.1977 -2.2649 0.9718 C.ar 1 UNL1111 -0.1561 15 C -0.9483 2.0947 -0.9670 C.ar 1 UNL1111 -0.1549 16 C -1.9318 -2.8529 -1.1346 C.ar 1 UNL1111 -0.1438 17 C -2.7908 2.0487 1.1278 C.ar 1 UNL1111 -0.1448 18 C -0.8345 -3.5041 0.9122 C.ar 1 UNL1111 -0.1414 19 C -1.9632 3.0490 -0.9037 C.ar 1 UNL1111 -0.1424 20 C -1.7020 -3.7993 -0.1364 C.ar 1 UNL1111 -0.1375 21 C -2.8842 3.0286 0.1402 C.ar 1 UNL1111 -0.1377 22 H -1.4796 -0.8750 -1.8605 H 1 UNL1111 0.1709 23 H -1.7069 0.3294 1.8437 H 1 UNL1111 0.1702 24 H 0.4672 -2.0574 1.8092 H 1 UNL1111 0.1607 25 H -0.2470 2.1300 -1.7997 H 1 UNL1111 0.1612 26 H -2.6070 -3.0808 -1.9579 H 1 UNL1111 0.1550 27 H -3.5079 2.0287 1.9466 H 1 UNL1111 0.1548 28 H -0.6519 -4.2414 1.6925 H 1 UNL1111 0.1527 29 H -2.0342 3.8116 -1.6775 H 1 UNL1111 0.1525 30 H -2.1992 -4.7665 -0.1784 H 1 UNL1111 0.1519 31 H -3.6756 3.7746 0.1864 H 1 UNL1111 0.1520 @BOND 1 1 8 2 2 2 9 2 3 3 10 2 4 4 11 2 5 5 6 1 6 5 7 1 7 5 8 1 8 5 9 1 9 6 12 ar 10 6 14 ar 11 7 13 ar 12 7 15 ar 13 8 10 1 14 9 11 1 15 10 11 1 16 12 16 ar 17 12 22 1 18 13 17 ar 19 13 23 1 20 14 18 ar 21 14 24 1 22 15 19 ar 23 15 25 1 24 16 20 ar 25 16 26 1 26 17 21 ar 27 17 27 1 28 18 20 ar 29 18 28 1 30 19 21 ar 31 19 29 1 32 20 30 1 33 21 31 1