@MOLECULE DB03751 62 64 1 SMALL USER_CHARGES @ATOM 1 P1 -4.0979 -1.4098 -4.1998 P 1 noname 0.0747 2 O1 -4.9653 -0.7410 -5.1836 O.2 1 noname -0.1837 3 O2 -5.0654 -2.2538 -3.2361 O.3 1 noname -0.0256 4 O3 -3.2878 -0.2058 -3.5305 O.3 1 noname -0.1242 5 O4 -3.0935 -2.3323 -5.0133 O.3 1 noname -0.1563 6 P2 -4.4904 -3.4167 -2.2894 P 1 noname 0.0674 7 C1 -3.0285 -0.1451 -2.1303 C.3 1 noname 0.2010 8 O5 -5.6334 -4.2315 -1.8527 O.2 1 noname -0.1856 9 O6 -3.8282 -2.7210 -1.0189 O.3 1 noname -0.1456 10 O7 -3.4515 -4.3303 -3.0599 O.3 1 noname -0.1575 11 O8 -1.9724 0.8574 -2.0702 O.3 1 noname -0.3405 12 C2 -4.2810 0.1781 -1.2235 C.3 1 noname 0.1342 13 C3 -2.8346 -3.4630 -0.3040 C.3 1 noname 0.0914 14 C4 -1.6155 1.4774 -0.8018 C.3 1 noname 0.1124 15 O9 -5.5668 0.0088 -1.8247 O.3 1 noname -0.3849 16 C5 -4.2467 1.6023 -0.6629 C.3 1 noname 0.1134 17 C6 -2.0651 -2.5009 0.6378 C.3 1 noname 0.1100 18 C7 -2.8919 1.9535 -0.0092 C.3 1 noname 0.1112 19 C8 -0.5957 0.5639 -0.0277 C.3 1 noname 0.0722 20 O10 -5.3003 1.6625 0.2916 O.3 1 noname -0.3873 21 O11 -2.9435 -1.7310 1.4683 O.3 1 noname -0.3537 22 C9 -1.1088 -3.2073 1.6114 C.3 1 noname 0.0864 23 O12 -2.9248 3.3641 0.1409 O.3 1 noname -0.3874 24 O13 0.1538 1.1250 1.0561 O.3 1 noname -0.3934 25 C10 -2.0632 -1.1220 2.4077 C.3 1 noname 0.1250 26 O14 0.2113 -3.3292 1.0740 O.3 1 noname -0.3900 27 C11 -1.1574 -2.2971 2.8522 C.3 1 noname 0.0167 28 N1 -2.7394 -0.2788 3.4061 N.3 1 noname 0.0361 29 C12 -2.6261 1.0943 3.4098 C.2 1 noname 0.0298 30 C13 -3.5410 -0.8231 4.3774 C.2 1 noname -0.0377 31 O15 -1.8710 1.7462 2.6637 O.2 1 noname -0.2798 32 N2 -3.3001 1.8938 4.2772 N.3 1 noname 0.0797 33 C14 -4.2216 -0.0617 5.3387 C.2 1 noname 0.0437 34 C15 -4.0893 1.3629 5.2361 C.2 1 noname 0.0638 35 C16 -5.0360 -0.7665 6.3424 C.3 1 noname -0.0339 36 O16 -4.6471 2.1890 5.9893 O.2 1 noname -0.2887 37 H1 -2.5496 -2.8318 -4.4000 H 1 noname 0.2283 38 H2 -2.6768 -1.1212 -1.7959 H 1 noname 0.0960 39 H3 -2.9108 -4.8057 -2.4249 H 1 noname 0.2283 40 H4 -4.2818 -0.5862 -0.4464 H 1 noname 0.0683 41 H5 -3.3880 -4.1722 0.3115 H 1 noname 0.0605 42 H6 -2.1404 -3.8253 -1.0623 H 1 noname 0.0605 43 H7 -1.0841 2.3933 -1.0602 H 1 noname 0.0657 44 H8 -6.2320 -0.0788 -1.1381 H 1 noname 0.2108 45 H9 -4.4431 2.3476 -1.4337 H 1 noname 0.0658 46 H10 -1.5359 -1.8133 -0.0220 H 1 noname 0.0656 47 H11 -2.8069 1.5077 0.9818 H 1 noname 0.0657 48 H12 -1.1817 -0.2125 0.4641 H 1 noname 0.0591 49 H13 0.1827 0.2904 -0.7400 H 1 noname 0.0591 50 H14 -4.9311 1.6414 1.1775 H 1 noname 0.2106 51 H15 -1.3302 -4.2576 1.8012 H 1 noname 0.0630 52 H16 -2.9300 3.5865 1.0747 H 1 noname 0.2106 53 H17 0.5230 0.4176 1.5899 H 1 noname 0.2101 54 H18 -1.4956 -0.3015 1.9686 H 1 noname 0.0788 55 H19 0.8452 -3.3877 1.7926 H 1 noname 0.2105 56 H20 -1.6715 -2.8393 3.6459 H 1 noname 0.0335 57 H21 -0.1540 -1.9061 3.0208 H 1 noname 0.0335 58 H22 -3.6417 -1.9084 4.3857 H 1 noname 0.0762 59 H23 -3.2133 2.8977 4.2082 H 1 noname 0.1418 60 H24 -4.7071 -0.4819 7.3419 H 1 noname 0.0282 61 H25 -6.0842 -0.4968 6.2142 H 1 noname 0.0282 62 H26 -4.9194 -1.8427 6.2142 H 1 noname 0.0282 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 4 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 1 11 7 12 1 12 9 13 1 13 11 14 1 14 12 15 1 15 12 16 1 16 17 13 1 17 14 18 1 18 14 19 1 19 16 20 1 20 16 18 1 21 17 21 1 22 17 22 1 23 18 23 1 24 19 24 1 25 21 25 1 26 22 26 1 27 22 27 1 28 25 28 1 29 25 27 1 30 28 29 1 31 28 30 1 32 29 31 2 33 29 32 1 34 30 33 2 35 32 34 1 36 33 35 1 37 33 34 1 38 34 36 2 39 5 37 1 40 7 38 1 41 10 39 1 42 12 40 1 43 13 41 1 44 13 42 1 45 14 43 1 46 15 44 1 47 16 45 1 48 17 46 1 49 18 47 1 50 19 48 1 51 19 49 1 52 20 50 1 53 22 51 1 54 23 52 1 55 24 53 1 56 25 54 1 57 26 55 1 58 27 56 1 59 27 57 1 60 30 58 1 61 32 59 1 62 35 60 1 63 35 61 1 64 35 62 1 @SUBSTRUCTURE 1 noname 1