@MOLECULE DB03510 41 43 1 SMALL USER_CHARGES @ATOM 1 P1 -4.6127 -1.8606 -2.3806 P 1 noname 0.0384 2 O1 -5.4054 -2.7500 -3.1895 O.2 1 noname -0.1918 3 O2 -5.5411 -0.9102 -1.6019 O.3 1 noname -0.0770 4 O3 -3.6788 -1.0373 -3.2871 O.3 1 noname -0.1615 5 O4 -3.7704 -2.6831 -1.3878 O.3 1 noname -0.1615 6 C1 -4.7979 -0.0764 -0.8436 C.2 1 noname 0.1125 7 N1 -4.3600 1.1322 -1.3232 N.2 1 noname -0.1977 8 C2 -4.4358 -0.4065 0.4768 C.2 1 noname 0.0773 9 C3 -3.5978 2.0187 -0.6044 C.2 1 noname 0.0640 10 N2 -4.7303 -1.4782 1.2146 N.2 1 noname -0.2060 11 C4 -3.6432 0.4886 1.2005 C.2 1 noname 0.1381 12 N3 -3.2287 1.6904 0.6715 N.2 1 noname -0.2055 13 C5 -4.1104 -1.2719 2.3871 C.2 1 noname -0.0308 14 N4 -3.4249 -0.1007 2.3885 N.3 1 noname 0.0366 15 C6 -2.5811 0.4530 3.4159 C.3 1 noname 0.1590 16 O5 -1.2608 0.6251 2.9226 O.3 1 noname -0.3483 17 C7 -2.3932 -0.3353 4.7280 C.3 1 noname 0.1258 18 C8 -0.5643 1.0445 4.0916 C.3 1 noname 0.1130 19 O6 -3.4542 -0.0287 5.6205 O.3 1 noname -0.3857 20 C9 -1.0941 0.2280 5.2739 C.3 1 noname 0.1127 21 C10 0.9321 0.7773 3.9171 C.3 1 noname 0.0914 22 O7 -1.3750 1.0970 6.3613 O.3 1 noname -0.3873 23 O8 1.4141 1.5002 2.7940 O.3 1 noname -0.1525 24 P2 2.9203 1.2312 2.6183 P 1 noname 0.0149 25 O9 3.4091 1.9643 1.4794 O.2 1 noname -0.1967 26 O10 3.1502 -0.2752 2.3964 O.3 1 noname -0.1645 27 O11 3.6736 1.6847 3.8826 O.3 1 noname -0.1645 28 H1 -3.0851 -0.5140 -2.7438 H 1 noname 0.2283 29 H2 -4.0128 -2.4463 -0.4896 H 1 noname 0.2283 30 H3 -3.2903 2.9692 -1.0403 H 1 noname 0.1063 31 H4 -4.1573 -1.9644 3.2275 H 1 noname 0.1016 32 H5 -3.1130 1.3896 3.5830 H 1 noname 0.0853 33 H6 -2.4260 -1.4217 4.6451 H 1 noname 0.0674 34 H7 -0.7559 2.1114 4.2061 H 1 noname 0.0657 35 H8 -3.1468 -0.1176 6.5256 H 1 noname 0.2107 36 H9 -0.4068 -0.5066 5.6935 H 1 noname 0.0657 37 H10 1.4526 1.1966 4.7781 H 1 noname 0.0605 38 H11 1.0597 -0.2748 3.6623 H 1 noname 0.0605 39 H12 -1.5768 0.5770 7.1426 H 1 noname 0.2106 40 H13 3.2177 -0.7172 3.2459 H 1 noname 0.2283 41 H14 3.9666 0.9140 4.3743 H 1 noname 0.2283 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 7 9 1 9 8 10 1 10 8 11 2 11 9 12 2 12 10 13 2 13 11 14 1 14 11 12 1 15 13 14 1 16 15 14 1 17 15 16 1 18 15 17 1 19 16 18 1 20 17 19 1 21 17 20 1 22 18 21 1 23 18 20 1 24 20 22 1 25 21 23 1 26 23 24 1 27 24 25 2 28 24 26 1 29 24 27 1 30 4 28 1 31 5 29 1 32 9 30 1 33 13 31 1 34 15 32 1 35 17 33 1 36 18 34 1 37 19 35 1 38 20 36 1 39 21 37 1 40 21 38 1 41 22 39 1 42 26 40 1 43 27 41 1 @SUBSTRUCTURE 1 noname 1