@MOLECULE DB03755 54 56 1 SMALL USER_CHARGES @ATOM 1 P1 9.5100 2.5450 1.1139 P 1 noname 0.0573 2 O1 10.2319 3.6887 0.5525 O.2 1 noname -0.1874 3 O2 7.9685 2.8816 1.0039 O.3 1 noname -0.0388 4 O3 9.8314 2.4701 2.6720 O.3 1 noname -0.1467 5 O4 9.9968 1.1875 0.4676 O.3 1 noname -0.1586 6 P2 7.1516 2.5281 -0.3181 P 1 noname 0.0747 7 C1 9.4933 1.2151 3.2846 C.3 1 noname 0.0915 8 O5 5.9440 1.8668 0.2422 O.2 1 noname -0.2157 9 O6 7.8861 1.3901 -1.1544 O.3 1 noname -0.1847 10 C2 6.7197 3.9401 -1.2468 C.3 1 noname 0.1632 11 C3 10.1703 1.2608 4.6655 C.3 1 noname 0.1130 12 P3 7.8425 5.0775 -1.8353 P 1 noname 0.0746 13 O7 9.6015 2.3392 5.4100 O.3 1 noname -0.3483 14 C4 10.0522 -0.0122 5.5070 C.3 1 noname 0.1127 15 O8 8.7174 5.5868 -0.7735 O.2 1 noname -0.2157 16 O9 8.6987 4.4297 -2.9394 O.3 1 noname -0.0398 17 O10 7.0709 6.2368 -2.4928 O.3 1 noname -0.1847 18 C5 9.8885 2.0631 6.7788 C.3 1 noname 0.1590 19 O11 11.3106 -0.6794 5.5086 O.3 1 noname -0.3873 20 C6 9.6347 0.5382 6.8772 C.3 1 noname 0.1258 21 P4 9.7139 5.4582 -3.4715 P 1 noname 0.0523 22 N1 9.1502 2.9847 7.6237 N.3 1 noname 0.0257 23 O12 10.3069 -0.0677 7.9752 O.3 1 noname -0.3857 24 O13 10.5145 4.8524 -4.5039 O.2 1 noname -0.1889 25 O14 10.6259 5.9222 -2.3206 O.3 1 noname -0.1596 26 O15 8.9611 6.6704 -4.0506 O.3 1 noname -0.1596 27 C7 9.3098 4.3272 7.6540 C.2 1 noname 0.1238 28 C8 8.1786 2.7057 8.5313 C.2 1 noname -0.0362 29 N2 10.1377 5.1621 6.9556 N.2 1 noname -0.2441 30 C9 8.4174 4.8285 8.6024 C.2 1 noname 0.0254 31 N3 7.7212 3.8212 9.1356 N.2 1 noname -0.2172 32 C10 10.1254 6.5138 7.1667 C.2 1 noname 0.0503 33 C11 8.4056 6.2211 8.8239 C.2 1 noname 0.0729 34 N4 9.2576 7.0102 8.1010 N.2 1 noname -0.2575 35 N5 7.5792 6.7739 9.7265 N.3 1 noname -0.1031 36 H1 10.2203 0.5642 1.1627 H 1 noname 0.2283 37 H2 8.4121 1.2147 3.4227 H 1 noname 0.0605 38 H3 9.9666 0.4366 2.6864 H 1 noname 0.0605 39 H4 8.2917 0.7618 -0.5524 H 1 noname 0.2260 40 H5 6.2816 3.5349 -2.1588 H 1 noname 0.0573 41 H6 6.1086 4.5307 -0.5642 H 1 noname 0.0573 42 H7 11.2322 1.4477 4.5060 H 1 noname 0.0657 43 H8 9.3960 -0.8033 5.1442 H 1 noname 0.0657 44 H9 6.6965 6.7994 -1.8109 H 1 noname 0.2260 45 H10 10.8936 2.3202 7.1131 H 1 noname 0.0853 46 H11 11.5925 -0.8288 6.4140 H 1 noname 0.2106 47 H12 8.6189 0.2594 7.1575 H 1 noname 0.0674 48 H13 10.2569 -1.0229 7.8935 H 1 noname 0.2107 49 H14 10.9847 5.1556 -1.8677 H 1 noname 0.2283 50 H15 8.6251 7.2114 -3.3323 H 1 noname 0.2283 51 H16 7.8091 1.7037 8.7493 H 1 noname 0.1016 52 H17 10.7871 7.1752 6.6074 H 1 noname 0.1062 53 H18 7.7548 7.7088 10.0660 H 1 noname 0.1258 54 H19 6.7821 6.2547 10.0660 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 10 12 1 12 11 13 1 13 11 14 1 14 12 15 2 15 12 16 1 16 12 17 1 17 13 18 1 18 14 19 1 19 14 20 1 20 16 21 1 21 18 22 1 22 18 20 1 23 20 23 1 24 21 24 2 25 21 25 1 26 21 26 1 27 22 27 1 28 22 28 1 29 27 29 2 30 27 30 1 31 28 31 2 32 29 32 1 33 30 33 2 34 30 31 1 35 32 34 2 36 33 35 1 37 33 34 1 38 5 36 1 39 7 37 1 40 7 38 1 41 9 39 1 42 10 40 1 43 10 41 1 44 11 42 1 45 14 43 1 46 17 44 1 47 18 45 1 48 19 46 1 49 20 47 1 50 23 48 1 51 25 49 1 52 26 50 1 53 28 51 1 54 32 52 1 55 35 53 1 56 35 54 1 @SUBSTRUCTURE 1 noname 1