@MOLECULE DB03344 49 49 1 SMALL USER_CHARGES @ATOM 1 P1 2.6153 -1.5098 -2.5548 P 1 noname 0.0165 2 O1 2.7770 -1.2841 -3.9678 O.2 1 noname -0.1963 3 O2 1.6746 -0.4406 -1.9686 O.3 1 noname -0.1482 4 O3 2.0110 -2.9073 -2.3240 O.3 1 noname -0.1643 5 O4 3.9872 -1.4227 -1.8607 O.3 1 noname -0.1643 6 C1 1.5158 -0.6622 -0.5813 C.3 1 noname 0.1329 7 C2 2.9078 -0.5753 0.1338 C.3 1 noname 0.1329 8 C3 0.4083 0.3221 -0.1206 C.3 1 noname 0.1329 9 O5 3.4510 -1.8800 0.2723 O.3 1 noname -0.1482 10 C4 2.8915 0.1380 1.5370 C.3 1 noname 0.1316 11 O6 -0.4597 0.6013 -1.2092 O.3 1 noname -0.1482 12 C5 0.9479 1.6671 0.4754 C.3 1 noname 0.1316 13 P2 2.4954 -2.7473 1.1127 P 1 noname 0.0165 14 O7 4.2244 0.4038 1.9483 O.3 1 noname -0.1483 15 C6 2.0543 1.4695 1.5789 C.3 1 noname 0.1138 16 P3 -1.1072 -0.7076 -1.6982 P 1 noname 0.0165 17 O8 -0.1328 2.4123 1.0169 O.3 1 noname -0.1483 18 O9 3.0462 -4.0704 1.2531 O.2 1 noname -0.1963 19 O10 2.3185 -2.1144 2.5054 O.3 1 noname -0.1643 20 O11 1.1277 -2.8326 0.4101 O.3 1 noname -0.1643 21 P4 4.2085 1.1016 3.3211 P 1 noname 0.0165 22 O12 2.9353 2.5831 1.5706 O.3 1 noname -0.3873 23 O13 -1.9874 -0.4245 -2.8021 O.2 1 noname -0.1963 24 O14 -1.9125 -1.3424 -0.5492 O.3 1 noname -0.1643 25 O15 -0.0080 -1.6845 -2.1554 O.3 1 noname -0.1643 26 P5 0.3975 3.7341 1.6026 P 1 noname 0.0165 27 O16 5.5601 1.3712 3.7382 O.2 1 noname -0.1963 28 O17 3.5252 0.1865 4.3542 O.3 1 noname -0.1643 29 O18 3.4303 2.4262 3.2145 O.3 1 noname -0.1643 30 O19 -0.6985 4.4897 2.1517 O.2 1 noname -0.1963 31 O20 1.0784 4.5522 0.4896 O.3 1 noname -0.1643 32 O21 1.4190 3.4298 2.7141 O.3 1 noname -0.1643 33 H1 1.9393 -3.0733 -1.3812 H 1 noname 0.2283 34 H2 3.8652 -1.4304 -0.9085 H 1 noname 0.2283 35 H3 1.1663 -1.6811 -0.4146 H 1 noname 0.0671 36 H4 3.5935 -0.0379 -0.5213 H 1 noname 0.0671 37 H5 -0.2037 -0.1805 0.6283 H 1 noname 0.0671 38 H6 2.4916 -0.5528 2.2792 H 1 noname 0.0671 39 H7 1.3441 2.2818 -0.3329 H 1 noname 0.0671 40 H8 1.5435 1.4865 2.5416 H 1 noname 0.0658 41 H9 2.2349 -2.8080 3.1638 H 1 noname 0.2283 42 H10 0.4314 -2.8761 1.0695 H 1 noname 0.2283 43 H11 3.1371 2.8382 2.4738 H 1 noname 0.2106 44 H12 -1.8658 -2.2989 -0.6159 H 1 noname 0.2283 45 H13 0.4213 -2.0661 -1.3862 H 1 noname 0.2283 46 H14 3.7465 0.4829 5.2401 H 1 noname 0.2283 47 H15 3.2368 2.7555 4.0953 H 1 noname 0.2283 48 H16 1.4708 3.9553 -0.1518 H 1 noname 0.2283 49 H17 1.5103 2.4793 2.8134 H 1 noname 0.2283 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 8 12 1 12 9 13 1 13 10 14 1 14 10 15 1 15 11 16 1 16 12 17 1 17 12 15 1 18 13 18 2 19 13 19 1 20 13 20 1 21 14 21 1 22 15 22 1 23 16 23 2 24 16 24 1 25 16 25 1 26 17 26 1 27 21 27 2 28 21 28 1 29 21 29 1 30 26 30 2 31 26 31 1 32 26 32 1 33 4 33 1 34 5 34 1 35 6 35 1 36 7 36 1 37 8 37 1 38 10 38 1 39 12 39 1 40 15 40 1 41 19 41 1 42 20 42 1 43 22 43 1 44 24 44 1 45 25 45 1 46 28 46 1 47 29 47 1 48 31 48 1 49 32 49 1 @SUBSTRUCTURE 1 noname 1