@MOLECULE DB02497 30 29 1 SMALL USER_CHARGES @ATOM 1 P1 0.0685 -0.2864 -0.1844 P 1 noname 0.0199 2 O1 1.4743 -0.3334 0.1241 O.2 1 noname -0.1952 3 O2 -0.2370 -1.2615 -1.3365 O.3 1 noname -0.1520 4 O3 -0.3168 1.1437 -0.6065 O.3 1 noname -0.1516 5 O4 -0.7439 -0.6909 1.0597 O.3 1 noname -0.1636 6 C1 -1.6233 -1.2151 -1.6408 C.3 1 noname 0.0872 7 C2 -0.0351 2.0428 0.4559 C.3 1 noname 0.0907 8 C3 -1.9268 -2.1840 -2.7854 C.3 1 noname 0.1159 9 C4 -0.4179 3.4636 0.0366 C.3 1 noname 0.1015 10 N1 -3.3541 -2.1362 -3.0987 N.3 1 noname -0.3175 11 C5 -1.5615 -3.5397 -2.3853 C.2 1 noname 0.1449 12 O5 -0.1362 4.3628 1.0989 O.3 1 noname -0.3882 13 C6 -1.9116 3.5136 -0.2913 C.3 1 noname 0.0715 14 O6 -0.7036 -4.1738 -3.0367 O.2 1 noname -0.2488 15 O7 -2.1502 -4.1085 -1.3118 O.3 1 noname -0.2134 16 O8 -2.2669 4.8321 -0.6805 O.3 1 noname -0.3935 17 H1 -0.7827 -1.6483 1.1191 H 1 noname 0.2283 18 H2 -2.1295 -1.5794 -0.7469 H 1 noname 0.0599 19 H3 -1.8089 -0.2021 -1.9977 H 1 noname 0.0599 20 H4 -0.6920 1.7432 1.2724 H 1 noname 0.0605 21 H5 1.0466 2.0092 0.5862 H 1 noname 0.0605 22 H6 -1.3704 -1.9351 -3.6890 H 1 noname 0.0596 23 H7 0.1857 3.8070 -0.8035 H 1 noname 0.0649 24 H8 -3.8178 -1.2455 -3.2069 H 1 noname 0.1192 25 H9 -3.8763 -2.9939 -3.2069 H 1 noname 0.1192 26 H10 0.0742 3.8649 1.8922 H 1 noname 0.2106 27 H11 -2.0850 2.8940 -1.1712 H 1 noname 0.0591 28 H12 -2.4656 3.3223 0.6277 H 1 noname 0.0591 29 H13 -2.1064 -5.0641 -1.3917 H 1 noname 0.2213 30 H14 -2.4115 5.3688 0.1023 H 1 noname 0.2101 @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 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 11 14 2 14 11 15 1 15 13 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 12 26 1 26 13 27 1 27 13 28 1 28 15 29 1 29 16 30 1 @SUBSTRUCTURE 1 noname 1