@MOLECULE DB02883 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 -4.2957 -4.7519 -0.8261 P 1 noname 0.0149 2 O1 -4.7481 -5.0171 -2.1672 O.2 1 noname -0.1967 3 O2 -3.5749 -3.3916 -0.7871 O.3 1 noname -0.1526 4 O3 -5.5052 -4.7196 0.1267 O.3 1 noname -0.1645 5 O4 -3.3232 -5.8610 -0.3837 O.3 1 noname -0.1645 6 C1 -3.1288 -3.1301 0.5354 C.3 1 noname 0.0888 7 C2 -2.4127 -1.7786 0.5742 C.3 1 noname 0.0842 8 O5 -3.3153 -0.7492 0.1636 O.3 1 noname -0.3565 9 C3 -1.9433 -1.4897 2.0051 C.3 1 noname -0.0205 10 C4 -2.6745 0.4088 0.7067 C.3 1 noname 0.1230 11 C5 -2.2278 0.0010 2.1294 C.3 1 noname -0.0096 12 N1 -3.5132 1.5652 0.5166 N.3 1 noname 0.0543 13 C6 -3.3205 2.2659 -0.6543 C.2 1 noname 0.1019 14 C7 -4.4937 1.9521 1.4243 C.2 1 noname -0.0524 15 O6 -2.4520 1.9137 -1.4814 O.2 1 noname -0.2488 16 N2 -4.1119 3.3614 -0.8827 N.2 1 noname -0.1588 17 C8 -5.3216 3.0881 1.2275 C.2 1 noname -0.0084 18 C9 -5.0753 3.7762 0.0093 C.2 1 noname -0.0358 19 N3 -5.8035 4.8630 -0.2808 N.3 1 noname -0.1313 20 H1 -5.1967 -4.7279 1.0357 H 1 noname 0.2283 21 H2 -3.2925 -5.8960 0.5752 H 1 noname 0.2283 22 H3 -4.0341 -3.0500 1.1372 H 1 noname 0.0604 23 H4 -2.3960 -3.9068 0.7540 H 1 noname 0.0604 24 H5 -1.5841 -1.7545 -0.1335 H 1 noname 0.0628 25 H6 -2.5962 -2.0215 2.6972 H 1 noname 0.0295 26 H7 -0.8643 -1.6372 2.0515 H 1 noname 0.0295 27 H8 -1.8136 0.7500 0.1318 H 1 noname 0.0787 28 H9 -3.0774 0.1224 2.8013 H 1 noname 0.0308 29 H10 -1.2847 0.5023 2.3472 H 1 noname 0.0308 30 H11 -4.6174 1.3443 2.3205 H 1 noname 0.0759 31 H12 -6.0778 3.4034 1.9465 H 1 noname 0.0666 32 H13 -5.3513 5.7595 -0.3901 H 1 noname 0.1257 33 H14 -6.8046 4.7857 -0.3901 H 1 noname 0.1257 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 12 1 12 10 11 1 13 12 13 1 14 12 14 1 15 13 15 2 16 13 16 1 17 14 17 2 18 16 18 2 19 17 18 1 20 18 19 1 21 4 20 1 22 5 21 1 23 6 22 1 24 6 23 1 25 7 24 1 26 9 25 1 27 9 26 1 28 10 27 1 29 11 28 1 30 11 29 1 31 14 30 1 32 17 31 1 33 19 32 1 34 19 33 1 @SUBSTRUCTURE 1 noname 1