@MOLECULE DB02483 73 78 1 SMALL USER_CHARGES @ATOM 1 P1 6.4682 0.3758 1.1916 P 1 noname 0.0386 2 O1 6.1912 -0.3873 2.4334 O.2 1 noname -0.1917 3 O2 5.0434 0.9082 0.6847 O.3 1 noname -0.1016 4 O3 7.2695 -0.6644 0.2716 O.3 1 noname -0.1495 5 O4 7.4131 1.5803 1.5986 O.3 1 noname -0.1615 6 P2 4.9791 2.1077 -0.3793 P 1 noname -0.0967 7 C1 7.2897 -0.4674 -1.1368 C.3 1 noname 0.0916 8 O5 3.6168 2.6430 -0.4217 O.2 1 noname -0.3582 9 O6 5.3160 1.4485 -1.7812 O.3 1 noname -0.2466 10 O7 5.9879 3.2670 0.0175 O.3 1 noname -0.3582 11 C2 8.1061 -1.5632 -1.8332 C.3 1 noname 0.1173 12 C3 5.8215 2.3503 -2.7526 C.3 1 noname 0.0788 13 O8 8.0313 -1.4829 -3.2432 O.3 1 noname -0.3196 14 C4 9.5985 -1.4530 -1.5312 C.3 1 noname 0.1174 15 C5 6.4577 1.5189 -3.8744 C.3 1 noname 0.1119 16 C6 9.0542 -2.4102 -3.6192 C.3 1 noname 0.1745 17 O9 9.9009 -2.0282 -0.2745 O.3 1 noname -0.3871 18 C7 10.2205 -2.2852 -2.6273 C.3 1 noname 0.1595 19 O10 5.6360 0.4129 -4.2648 O.3 1 noname -0.3483 20 C8 6.6430 2.4120 -5.0963 C.3 1 noname 0.1126 21 N1 9.4960 -2.1298 -4.9564 N.2 1 noname -0.0255 22 O11 10.6147 -3.5642 -2.1795 O.3 1 noname -0.3813 23 C9 6.0581 0.1287 -5.5974 C.3 1 noname 0.1590 24 O12 8.0101 2.7921 -5.2024 O.3 1 noname -0.3873 25 C10 6.1513 1.5265 -6.2412 C.3 1 noname 0.1258 26 C11 9.3359 -3.1493 -5.9047 C.2 1 noname 0.1784 27 C12 10.0423 -0.8793 -5.2299 C.2 1 noname 0.1557 28 N2 5.2152 -0.8722 -6.2069 N.3 1 noname 0.0230 29 O13 7.0060 1.5288 -7.3768 O.3 1 noname -0.3857 30 C13 9.7676 -2.9001 -7.2382 C.2 1 noname 0.0694 31 C14 10.5008 -0.5830 -6.5415 C.2 1 noname 0.0388 32 C15 5.0904 -2.1356 -5.7549 C.2 1 noname 0.1559 33 C16 4.4251 -0.7749 -7.3091 C.2 1 noname -0.0374 34 C17 9.6370 -3.8474 -8.2052 C.2 1 noname 0.0184 35 C18 10.3503 -1.6073 -7.5342 C.2 1 noname 0.0171 36 N3 5.6408 -2.7793 -4.6808 N.2 1 noname -0.2323 37 C19 4.2137 -2.7800 -6.6298 C.2 1 noname 0.0589 38 N4 3.8052 -1.9408 -7.5806 N.2 1 noname -0.2111 39 O14 9.4630 -3.4869 -9.4631 O.3 1 noname -0.2589 40 N5 9.6827 -5.0837 -7.8969 N.2 1 noname -0.2336 41 C20 5.3558 -4.0923 -4.4083 C.2 1 noname -0.0238 42 C21 3.9384 -4.1289 -6.3459 C.2 1 noname 0.0206 43 N6 4.4976 -4.7259 -5.2687 N.3 1 noname -0.1078 44 N7 3.1537 -4.9944 -7.0044 N.2 1 noname -0.2085 45 C22 4.0619 -5.9930 -5.2226 C.2 1 noname -0.0728 46 C23 3.2157 -6.1541 -6.3236 C.2 1 noname 0.0179 47 H1 7.4605 1.6406 2.5555 H 1 noname 0.2283 48 H2 6.2521 -0.5737 -1.4531 H 1 noname 0.0605 49 H3 7.8099 0.4792 -1.2834 H 1 noname 0.0605 50 H4 7.6629 -2.5116 -1.5296 H 1 noname 0.0659 51 H5 4.9526 2.8686 -3.1580 H 1 noname 0.0593 52 H6 6.6088 2.9149 -2.2530 H 1 noname 0.0593 53 H7 9.9790 -0.4360 -1.4365 H 1 noname 0.0659 54 H8 7.3840 1.0688 -3.5174 H 1 noname 0.0656 55 H9 8.6159 -3.4079 -3.6421 H 1 noname 0.1331 56 H10 9.8832 -2.9852 -0.3480 H 1 noname 0.2106 57 H11 11.1676 -1.8970 -3.0021 H 1 noname 0.0724 58 H12 6.1606 3.3892 -5.0759 H 1 noname 0.0657 59 H13 10.6195 -3.5798 -1.2197 H 1 noname 0.2110 60 H14 6.9989 -0.4180 -5.6611 H 1 noname 0.0853 61 H15 8.3826 2.8957 -4.3237 H 1 noname 0.2106 62 H16 5.2422 1.8967 -6.7150 H 1 noname 0.0674 63 H17 8.8916 -4.1017 -5.6155 H 1 noname 0.1271 64 H18 10.1101 -0.1432 -4.4289 H 1 noname 0.1263 65 H19 7.1993 0.6242 -7.6336 H 1 noname 0.2107 66 H20 10.9466 0.3839 -6.7750 H 1 noname 0.0681 67 H21 4.3030 0.1300 -7.9043 H 1 noname 0.1016 68 H22 10.6902 -1.3961 -8.5481 H 1 noname 0.0634 69 H23 9.3869 -4.2702 -10.0129 H 1 noname 0.2199 70 H24 9.6863 -5.1800 -6.8915 H 1 noname 0.1898 71 H25 5.7897 -4.6066 -3.5508 H 1 noname 0.1020 72 H26 4.3337 -6.7257 -4.4627 H 1 noname 0.0812 73 H27 2.6790 -7.0581 -6.6112 H 1 noname 0.0853 @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 21 26 2 27 21 27 1 28 23 28 1 29 23 25 1 30 25 29 1 31 26 30 1 32 27 31 2 33 28 32 1 34 28 33 1 35 30 34 1 36 30 35 2 37 31 35 1 38 32 36 1 39 32 37 2 40 33 38 2 41 34 39 1 42 34 40 2 43 36 41 2 44 37 42 1 45 37 38 1 46 41 43 1 47 42 44 2 48 42 43 1 49 43 45 1 50 44 46 1 51 45 46 2 52 5 47 1 53 7 48 1 54 7 49 1 55 11 50 1 56 12 51 1 57 12 52 1 58 14 53 1 59 15 54 1 60 16 55 1 61 17 56 1 62 18 57 1 63 20 58 1 64 22 59 1 65 23 60 1 66 24 61 1 67 25 62 1 68 26 63 1 69 27 64 1 70 29 65 1 71 31 66 1 72 33 67 1 73 35 68 1 74 39 69 1 75 40 70 1 76 41 71 1 77 45 72 1 78 46 73 1 @SUBSTRUCTURE 1 noname 1