@MOLECULE 91618118 31 30 1 SMALL USER_CHARGES @ATOM 1 P1 -1.0623 5.5434 1.0644 P 1 noname 0.0222 2 P2 0.2525 1.2669 -1.5719 P 1 noname 0.0222 3 P3 0.3283 3.5836 2.2832 P 1 noname 0.0222 4 P4 -1.6231 1.1364 0.3582 P 1 noname 0.0222 5 O1 -2.1550 5.8493 0.0232 O.3 1 noname -0.1911 6 O2 -0.1033 4.1313 3.6563 O.3 1 noname -0.1911 7 O3 1.5715 1.9365 -2.0002 O.3 1 noname -0.1911 8 O4 -1.4180 -0.3868 0.4546 O.3 1 noname -0.1911 9 O5 -2.7158 1.4423 -0.6830 O.3 1 noname -0.1911 10 O6 0.4576 -0.2563 -1.4755 O.3 1 noname -0.1911 11 O7 1.6473 4.2531 1.8549 O.3 1 noname -0.1911 12 O8 -1.4939 6.0911 2.4375 O.3 1 noname -0.1911 13 O9 0.5201 2.1593 2.3734 O.2 1 noname -0.2261 14 O10 0.1711 6.1695 0.6639 O.2 1 noname -0.2261 15 O11 -0.7693 1.5530 -2.5455 O.2 1 noname -0.2261 16 O12 -2.0266 1.6486 1.6421 O.2 1 noname -0.2261 17 C1 -0.4138 3.3671 -0.1965 C.3 1 noname 0.0056 18 C2 -0.2099 1.8538 -0.1007 C.3 1 noname 0.1739 19 C3 -0.8425 3.9113 1.1677 C.3 1 noname 0.1739 20 H1 0.5198 3.8411 -0.4996 H 1 noname 0.0306 21 H2 -1.1871 3.5837 -0.9334 H 1 noname 0.0306 22 H3 -1.7761 3.4374 1.4708 H 1 noname 0.0610 23 H4 0.5635 1.6373 0.6362 H 1 noname 0.0610 24 H5 -2.2856 6.8186 -0.0381 H 1 noname 0.2259 25 H6 1.8461 1.5880 -2.8740 H 1 noname 0.2259 26 H7 -2.2573 -0.8129 0.7271 H 1 noname 0.2259 27 H8 0.5921 3.9367 4.3189 H 1 noname 0.2259 28 H9 -3.5552 1.0162 -0.4105 H 1 noname 0.2259 29 H10 0.7323 -0.6048 -2.3493 H 1 noname 0.2259 30 H11 2.3426 4.0585 2.5175 H 1 noname 0.2259 31 H12 -1.6244 7.0604 2.3761 H 1 noname 0.2259 @BOND 1 1 5 1 2 1 12 1 3 1 14 2 4 1 19 1 5 2 7 1 6 2 10 1 7 2 15 2 8 2 18 1 9 3 6 1 10 3 11 1 11 3 13 2 12 3 19 1 13 4 8 1 14 4 9 1 15 4 16 2 16 4 18 1 17 5 24 1 18 6 27 1 19 7 25 1 20 8 26 1 21 9 28 1 22 10 29 1 23 11 30 1 24 12 31 1 25 17 18 1 26 17 19 1 27 17 20 1 28 17 21 1 29 18 23 1 30 19 22 1 @SUBSTRUCTURE 1 noname 1