@MOLECULE DB01840 30 29 1 SMALL USER_CHARGES @ATOM 1 P1 3.8706 2.7808 -2.1493 P 1 noname -0.0326 2 O1 3.4238 3.4680 -3.3332 O.2 1 noname -0.2385 3 O2 3.9672 3.7799 -0.9814 O.3 1 noname -0.1973 4 O3 5.2553 2.1587 -2.4086 O.3 1 noname -0.1973 5 C1 2.8605 1.6615 -1.7894 C.2 1 noname 0.0797 6 C2 3.0715 0.8923 -0.7251 C.2 1 noname 0.0041 7 C3 2.1396 -0.1403 -0.3931 C.3 1 noname 0.1014 8 O4 2.7995 -1.3975 -0.4124 O.3 1 noname -0.3861 9 C4 1.5710 0.1159 1.0040 C.3 1 noname 0.1095 10 O5 0.9111 1.3731 1.0233 O.3 1 noname -0.3873 11 C5 0.5739 -0.9889 1.3592 C.3 1 noname 0.0850 12 O6 0.0461 -0.7512 2.6559 O.3 1 noname -0.3901 13 C6 1.2849 -2.3435 1.3384 C.3 1 noname -0.0010 14 C7 0.2879 -3.4484 1.6937 C.3 1 noname 0.0457 15 O7 0.9477 -4.7056 1.6744 O.3 1 noname -0.3961 16 H1 4.0358 3.2988 -0.1535 H 1 noname 0.2262 17 H2 5.6820 1.9669 -1.5703 H 1 noname 0.2262 18 H3 1.9441 1.3988 -2.3180 H 1 noname 0.0730 19 H4 3.9725 1.1000 -0.1479 H 1 noname 0.0609 20 H5 1.3776 -0.1638 -1.1721 H 1 noname 0.0674 21 H6 2.9539 -1.6917 0.4883 H 1 noname 0.2110 22 H7 2.3634 0.1914 1.7486 H 1 noname 0.0658 23 H8 0.7681 1.6455 1.9326 H 1 noname 0.2107 24 H9 -0.2855 -0.9801 0.6888 H 1 noname 0.0629 25 H10 -0.1299 -1.5900 3.0884 H 1 noname 0.2105 26 H11 1.5962 -2.5198 0.3088 H 1 noname 0.0317 27 H12 2.0274 -2.3214 2.1361 H 1 noname 0.0317 28 H13 -0.0260 -3.3005 2.7270 H 1 noname 0.0564 29 H14 -0.4572 -3.4988 0.8997 H 1 noname 0.0564 30 H15 1.1021 -4.9998 2.5751 H 1 noname 0.2100 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 2 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 14 15 1 15 3 16 1 16 4 17 1 17 5 18 1 18 6 19 1 19 7 20 1 20 8 21 1 21 9 22 1 22 10 23 1 23 11 24 1 24 12 25 1 25 13 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 15 30 1 @SUBSTRUCTURE 1 noname 1