@MOLECULE DB03732 66 70 1 SMALL USER_CHARGES @ATOM 1 P1 8.7413 4.5224 -3.7300 P 1 noname 0.0671 2 O1 8.6724 3.1240 -4.1755 O.2 1 noname -0.1856 3 O2 7.7528 4.8484 -2.5122 O.3 1 noname -0.0270 4 O3 8.3020 5.4525 -4.9370 O.3 1 noname -0.1456 5 O4 10.2507 4.8978 -3.4103 O.3 1 noname -0.1575 6 P2 7.7366 3.9004 -1.2252 P 1 noname 0.0671 7 C1 8.4187 6.8057 -4.4999 C.3 1 noname 0.0915 8 O5 6.4617 4.1418 -0.5336 O.2 1 noname -0.1856 9 O6 8.8620 4.1863 -0.1292 O.3 1 noname -0.1456 10 O7 7.7745 2.3717 -1.6508 O.3 1 noname -0.1575 11 C2 8.2879 7.7034 -5.7121 C.3 1 noname 0.1130 12 C3 10.1285 4.6676 -0.5778 C.3 1 noname 0.0915 13 O8 7.0529 7.3946 -6.3340 O.3 1 noname -0.3482 14 C4 8.2524 9.1689 -5.2857 C.3 1 noname 0.1140 15 C5 11.1032 4.8485 0.5841 C.3 1 noname 0.1137 16 C6 6.8151 8.5536 -7.1083 C.3 1 noname 0.1603 17 O9 9.5118 9.7780 -5.5533 O.3 1 noname -0.3873 18 C7 7.0979 9.7120 -6.1313 C.3 1 noname 0.1449 19 O10 12.3663 5.3174 0.1370 O.3 1 noname -0.3414 20 C8 10.6562 5.9041 1.5985 C.3 1 noname 0.1135 21 N1 5.5314 8.4256 -7.7321 N.3 1 noname 0.0230 22 O11 7.4034 10.9042 -6.8407 O.3 1 noname -0.1471 23 C9 13.0043 5.5766 1.3929 C.3 1 noname 0.1838 24 O12 9.7248 5.3276 2.5022 O.3 1 noname -0.3873 25 C10 11.9631 6.1973 2.3325 C.3 1 noname 0.1331 26 C11 5.2076 7.4322 -8.5813 C.2 1 noname 0.1559 27 C12 4.4443 9.2303 -7.6169 C.2 1 noname -0.0374 28 P3 7.7898 12.0111 -5.8421 P 1 noname 0.0169 29 O13 14.0735 6.4911 1.2009 O.3 1 noname -0.3656 30 O14 11.9743 5.5071 3.5734 O.3 1 noname -0.3849 31 N2 5.9061 6.3404 -9.0332 N.2 1 noname -0.2323 32 C13 3.9019 7.6907 -8.9868 C.2 1 noname 0.0589 33 N3 3.4342 8.7892 -8.3901 N.2 1 noname -0.2111 34 O15 8.0995 13.2196 -6.5612 O.2 1 noname -0.1962 35 O16 6.6130 12.2713 -4.8835 O.3 1 noname -0.1643 36 O17 9.0220 11.5652 -5.0330 O.3 1 noname -0.1643 37 C14 5.3469 5.4521 -9.9146 C.2 1 noname -0.0238 38 C15 3.3476 6.7831 -9.9028 C.2 1 noname 0.0206 39 N4 4.0665 5.7144 -10.3231 N.3 1 noname -0.1078 40 N5 2.1375 6.7883 -10.4752 N.2 1 noname -0.2085 41 C16 3.3029 5.0129 -11.1725 C.2 1 noname -0.0728 42 C17 2.0886 5.6990 -11.2646 C.2 1 noname 0.0179 43 H1 10.3781 4.9294 -2.4593 H 1 noname 0.2283 44 H2 7.5625 6.9880 -3.8505 H 1 noname 0.0605 45 H3 9.4309 6.9105 -4.1094 H 1 noname 0.0605 46 H4 7.7881 1.8209 -0.8647 H 1 noname 0.2283 47 H5 9.0898 7.5212 -6.4275 H 1 noname 0.0657 48 H6 10.5221 3.8773 -1.2170 H 1 noname 0.0605 49 H7 9.9258 5.6546 -0.9935 H 1 noname 0.0605 50 H8 8.1554 9.3853 -4.2218 H 1 noname 0.0658 51 H9 11.2203 3.8576 1.0228 H 1 noname 0.0657 52 H10 7.4232 8.6560 -8.0071 H 1 noname 0.0853 53 H11 9.9478 9.9889 -4.7245 H 1 noname 0.2106 54 H12 6.2614 10.0739 -5.5336 H 1 noname 0.0688 55 H13 10.1257 6.7673 1.1966 H 1 noname 0.0658 56 H14 13.4466 4.6511 1.7616 H 1 noname 0.0949 57 H15 10.0047 5.5008 3.4040 H 1 noname 0.2106 58 H16 12.1283 7.2376 2.6130 H 1 noname 0.0682 59 H17 4.3896 10.1167 -6.9848 H 1 noname 0.1016 60 H18 14.4074 6.7767 2.0544 H 1 noname 0.2134 61 H19 11.9728 4.5606 3.4132 H 1 noname 0.2108 62 H20 6.9185 12.2038 -3.9759 H 1 noname 0.2283 63 H21 8.8309 11.6343 -4.0948 H 1 noname 0.2283 64 H22 5.8936 4.5799 -10.2730 H 1 noname 0.1020 65 H23 3.6018 4.0928 -11.6747 H 1 noname 0.0812 66 H24 1.2238 5.4230 -11.8679 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 1 27 21 27 1 28 22 28 1 29 23 29 1 30 23 25 1 31 25 30 1 32 26 31 1 33 26 32 2 34 27 33 2 35 28 34 2 36 28 35 1 37 28 36 1 38 31 37 2 39 32 38 1 40 32 33 1 41 37 39 1 42 38 40 2 43 38 39 1 44 39 41 1 45 40 42 1 46 41 42 2 47 5 43 1 48 7 44 1 49 7 45 1 50 10 46 1 51 11 47 1 52 12 48 1 53 12 49 1 54 14 50 1 55 15 51 1 56 16 52 1 57 17 53 1 58 18 54 1 59 20 55 1 60 23 56 1 61 24 57 1 62 25 58 1 63 27 59 1 64 29 60 1 65 30 61 1 66 35 62 1 67 36 63 1 68 37 64 1 69 41 65 1 70 42 66 1 @SUBSTRUCTURE 1 noname 1