@MOLECULE DB04195 32 32 1 SMALL USER_CHARGES @ATOM 1 P1 -1.0478 -1.5738 -0.7394 P 1 noname 0.0237 2 O1 -1.3299 -2.6564 -1.6461 O.2 1 noname -0.1946 3 O2 0.1796 -0.7907 -1.2410 O.3 1 noname -0.1294 4 O3 -0.7571 -2.1409 0.6625 O.3 1 noname -0.1632 5 O4 -2.2644 -0.6321 -0.6701 O.3 1 noname -0.1632 6 C1 0.4597 0.2842 -0.3407 C.3 1 noname 0.2090 7 O5 0.7302 -0.2963 0.9788 O.3 1 noname -0.3382 8 C2 1.5550 1.2243 -0.9309 C.3 1 noname 0.1369 9 C3 -0.8207 1.1211 -0.2538 C.3 1 noname -0.0068 10 C4 2.1037 -0.6308 1.3098 C.3 1 noname 0.1127 11 O6 2.2647 0.5407 -1.9534 O.3 1 noname -0.3845 12 C5 2.5588 1.7003 0.1725 C.3 1 noname 0.1137 13 C6 3.0693 0.5962 1.1270 C.3 1 noname 0.1112 14 C7 2.1741 -1.1241 2.7564 C.3 1 noname 0.0722 15 O7 1.9681 2.7455 0.9307 O.3 1 noname -0.3873 16 O8 4.3386 0.1380 0.6849 O.3 1 noname -0.3874 17 O9 1.3575 -2.2765 2.9037 O.3 1 noname -0.3934 18 H1 -0.7644 -3.1003 0.6275 H 1 noname 0.2283 19 H2 -2.4850 -0.4614 0.2485 H 1 noname 0.2283 20 H3 1.0955 2.0776 -1.4298 H 1 noname 0.0686 21 H4 -1.0754 1.2877 0.7929 H 1 noname 0.0286 22 H5 -0.6618 2.0805 -0.7461 H 1 noname 0.0286 23 H6 -1.6356 0.5906 -0.7461 H 1 noname 0.0286 24 H7 2.3561 -1.4296 0.6123 H 1 noname 0.0657 25 H8 2.1762 -0.4066 -1.8258 H 1 noname 0.2108 26 H9 3.4317 2.1309 -0.3182 H 1 noname 0.0658 27 H10 3.2349 1.0614 2.0987 H 1 noname 0.0657 28 H11 3.1922 -1.4626 2.9486 H 1 noname 0.0591 29 H12 1.7227 -0.3644 3.3945 H 1 noname 0.0591 30 H13 2.0728 2.5603 1.8668 H 1 noname 0.2106 31 H14 4.8896 -0.0610 1.4454 H 1 noname 0.2106 32 H15 1.2278 -2.4595 3.8372 H 1 noname 0.2101 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 6 9 1 9 7 10 1 10 8 11 1 11 8 12 1 12 10 13 1 13 10 14 1 14 12 15 1 15 12 13 1 16 13 16 1 17 14 17 1 18 4 18 1 19 5 19 1 20 8 20 1 21 9 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 16 31 1 32 17 32 1 @SUBSTRUCTURE 1 noname 1