@MOLECULE DB02059 59 62 1 SMALL USER_CHARGES @ATOM 1 P1 7.8959 -1.2448 2.9192 P 1 noname 0.0671 2 O1 7.9084 -2.3929 3.8336 O.2 1 noname -0.1856 3 O2 6.3662 -0.7586 2.8228 O.3 1 noname -0.0270 4 O3 8.6159 -1.8043 1.6026 O.3 1 noname -0.1456 5 O4 8.7982 -0.1240 3.5893 O.3 1 noname -0.1575 6 P2 6.0452 0.6869 2.2130 P 1 noname 0.0671 7 C1 8.3617 -1.2559 0.3159 C.3 1 noname 0.0915 8 O5 4.6519 1.0495 2.5145 O.2 1 noname -0.1856 9 O6 6.2025 0.5424 0.6427 O.3 1 noname -0.1456 10 O7 7.0120 1.7839 2.8246 O.3 1 noname -0.1575 11 C2 9.1884 -1.9781 -0.7585 C.3 1 noname 0.1137 12 C3 6.4814 1.7484 -0.0508 C.3 1 noname 0.0915 13 O8 8.9081 -1.5014 -2.0577 O.3 1 noname -0.3414 14 C4 10.6885 -1.7730 -0.6010 C.3 1 noname 0.1135 15 C5 6.9560 1.3854 -1.4651 C.3 1 noname 0.1130 16 C6 9.8901 -2.1573 -2.8321 C.3 1 noname 0.1838 17 O9 11.1956 -2.6982 0.3494 O.3 1 noname -0.3873 18 C7 11.1748 -2.1585 -1.9963 C.3 1 noname 0.1331 19 O10 6.1801 0.3385 -2.0613 O.3 1 noname -0.3483 20 C8 6.8112 2.6258 -2.3380 C.3 1 noname 0.1127 21 O11 9.4835 -3.4956 -3.0771 O.3 1 noname -0.3656 22 O12 11.7166 -3.4707 -1.9629 O.3 1 noname -0.3849 23 C9 6.3384 0.5504 -3.4657 C.3 1 noname 0.1590 24 O13 8.0948 3.1992 -2.5500 O.3 1 noname -0.3873 25 C10 6.1673 2.0751 -3.6076 C.3 1 noname 0.1258 26 N1 5.4667 -0.3176 -4.2195 N.3 1 noname 0.0257 27 O14 6.7587 2.5614 -4.8040 O.3 1 noname -0.3857 28 C11 5.5208 -1.6640 -4.1806 C.2 1 noname 0.1238 29 C12 4.4564 0.0051 -5.0724 C.2 1 noname -0.0362 30 N2 6.3502 -2.5093 -3.4971 N.2 1 noname -0.2441 31 C13 4.4934 -2.1303 -5.0086 C.2 1 noname 0.0254 32 N3 3.8537 -1.0976 -5.5596 N.2 1 noname -0.2172 33 C14 6.1717 -3.8632 -3.6053 C.2 1 noname 0.0503 34 C15 4.3047 -3.5253 -5.1155 C.2 1 noname 0.0729 35 N4 5.1558 -4.3298 -4.4037 N.2 1 noname -0.2575 36 N5 3.3337 -4.0414 -5.8813 N.3 1 noname -0.1031 37 H1 8.7405 -0.1957 4.5449 H 1 noname 0.2283 38 H2 7.3091 -1.4624 0.1223 H 1 noname 0.0605 39 H3 8.7137 -0.2259 0.3718 H 1 noname 0.0605 40 H4 6.9763 1.7434 3.7831 H 1 noname 0.2283 41 H5 8.8949 -3.0267 -0.7082 H 1 noname 0.0657 42 H6 5.5278 2.2702 -0.1318 H 1 noname 0.0605 43 H7 7.3121 2.2108 0.4822 H 1 noname 0.0605 44 H8 11.0119 -0.8056 -0.2167 H 1 noname 0.0658 45 H9 7.9677 0.9817 -1.4253 H 1 noname 0.0657 46 H10 9.9639 -1.6704 -3.8045 H 1 noname 0.0949 47 H11 11.0187 -2.3754 1.2360 H 1 noname 0.2106 48 H12 11.9875 -1.5468 -2.3881 H 1 noname 0.0682 49 H13 6.2671 3.4707 -1.9158 H 1 noname 0.0657 50 H14 9.3465 -3.9467 -2.2408 H 1 noname 0.2134 51 H15 11.8306 -3.7467 -1.0505 H 1 noname 0.2108 52 H16 7.2883 0.1984 -3.8679 H 1 noname 0.0853 53 H17 8.5069 3.3833 -1.7027 H 1 noname 0.2106 54 H18 5.1480 2.4286 -3.7634 H 1 noname 0.0674 55 H19 7.0292 1.8206 -5.3513 H 1 noname 0.2107 56 H20 4.1654 1.0226 -5.3333 H 1 noname 0.1016 57 H21 6.8228 -4.5531 -3.0685 H 1 noname 0.1062 58 H22 2.5572 -3.4636 -6.1699 H 1 noname 0.1258 59 H23 3.3782 -5.0083 -6.1699 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 9 12 1 12 11 13 1 13 11 14 1 14 15 12 1 15 13 16 1 16 14 17 1 17 14 18 1 18 15 19 1 19 15 20 1 20 16 21 1 21 16 18 1 22 18 22 1 23 19 23 1 24 20 24 1 25 20 25 1 26 23 26 1 27 23 25 1 28 25 27 1 29 26 28 1 30 26 29 1 31 28 30 2 32 28 31 1 33 29 32 2 34 30 33 1 35 31 34 2 36 31 32 1 37 33 35 2 38 34 36 1 39 34 35 1 40 5 37 1 41 7 38 1 42 7 39 1 43 10 40 1 44 11 41 1 45 12 42 1 46 12 43 1 47 14 44 1 48 15 45 1 49 16 46 1 50 17 47 1 51 18 48 1 52 20 49 1 53 21 50 1 54 22 51 1 55 23 52 1 56 24 53 1 57 25 54 1 58 27 55 1 59 29 56 1 60 33 57 1 61 36 58 1 62 36 59 1 @SUBSTRUCTURE 1 noname 1