@MOLECULE 91617568 31 30 1 SMALL USER_CHARGES @ATOM 1 P1 -1.8270 1.7678 0.8818 P 1 noname 0.0222 2 P2 1.7579 -1.5246 -0.9280 P 1 noname 0.0222 3 P3 -0.1211 2.5607 -1.0472 P 1 noname 0.0222 4 P4 2.5001 0.5736 0.5908 P 1 noname 0.0222 5 O1 0.7683 -2.0111 -2.0031 O.3 1 noname -0.1911 6 O2 3.9393 0.4510 0.0569 O.3 1 noname -0.1911 7 O3 -0.4179 4.0325 -0.7047 O.3 1 noname -0.1911 8 O4 -1.9799 0.9051 2.1483 O.3 1 noname -0.1911 9 O5 2.3471 -0.2891 1.8573 O.3 1 noname -0.1911 10 O6 3.1971 -1.6472 -1.4619 O.3 1 noname -0.1911 11 O7 -1.1107 2.0742 -2.1223 O.3 1 noname -0.1911 12 O8 -2.1238 3.2396 1.2243 O.3 1 noname -0.1911 13 O9 1.6149 -2.3313 0.2562 O.2 1 noname -0.2261 14 O10 2.2225 1.9498 0.9111 O.2 1 noname -0.2261 15 O11 1.2247 2.4460 -1.5465 O.2 1 noname -0.2261 16 O12 -2.7523 1.3129 -0.1235 O.2 1 noname -0.2261 17 C1 0.0099 0.1742 -0.0306 C.3 1 noname 0.0056 18 C2 1.4398 0.0523 -0.5610 C.3 1 noname 0.1739 19 C3 -0.2850 1.6364 0.3097 C.3 1 noname 0.1739 20 H1 -0.6905 -0.1702 -0.7915 H 1 noname 0.0306 21 H2 -0.0983 -0.4364 0.8658 H 1 noname 0.0306 22 H3 0.4154 1.9807 1.0706 H 1 noname 0.0610 23 H4 1.5481 0.6629 -1.4574 H 1 noname 0.0610 24 H5 0.9572 -2.9477 -2.2210 H 1 noname 0.2259 25 H6 4.5690 0.7606 0.7410 H 1 noname 0.2259 26 H7 -0.3206 4.5815 -1.5107 H 1 noname 0.2259 27 H8 -2.8958 0.9831 2.4880 H 1 noname 0.2259 28 H9 2.9768 0.0205 2.5414 H 1 noname 0.2259 29 H10 3.3860 -2.5838 -1.6799 H 1 noname 0.2259 30 H11 -1.0133 2.6232 -2.9282 H 1 noname 0.2259 31 H12 -3.0397 3.3176 1.5641 H 1 noname 0.2259 @BOND 1 1 8 1 2 1 12 1 3 1 16 2 4 1 19 1 5 2 5 1 6 2 10 1 7 2 13 2 8 2 18 1 9 3 7 1 10 3 11 1 11 3 15 2 12 3 19 1 13 4 6 1 14 4 9 1 15 4 14 2 16 4 18 1 17 5 24 1 18 6 25 1 19 7 26 1 20 8 27 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