@MOLECULE DB02030 43 45 1 SMALL USER_CHARGES @ATOM 1 P1 4.1913 -0.3513 3.5813 P 1 noname 0.0149 2 O1 3.1278 -0.3197 4.5516 O.2 1 noname -0.1967 3 O2 3.6683 -0.9582 2.2661 O.3 1 noname -0.1525 4 O3 4.6924 1.0816 3.3220 O.3 1 noname -0.1645 5 O4 5.3506 -1.2113 4.1181 O.3 1 noname -0.1645 6 C1 4.7171 -0.9894 1.3092 C.3 1 noname 0.0914 7 C2 4.1975 -1.5923 0.0025 C.3 1 noname 0.1130 8 O5 3.1401 -0.8079 -0.4872 O.3 1 noname -0.3483 9 C3 5.3017 -1.5398 -1.0589 C.3 1 noname 0.1127 10 C4 3.8265 0.2696 -1.0978 C.3 1 noname 0.1577 11 O6 5.2922 -2.7438 -1.8117 O.3 1 noname -0.3873 12 C5 4.9066 -0.3749 -1.9588 C.3 1 noname 0.1257 13 N1 2.9112 1.0848 -1.8267 N.3 1 noname -0.0245 14 O7 4.3238 -0.8757 -3.1529 O.3 1 noname -0.3857 15 C6 2.0734 0.6947 -2.8083 C.2 1 noname -0.0570 16 C7 2.6845 2.3914 -1.5634 C.2 1 noname -0.0361 17 C8 1.2902 1.8233 -3.1301 C.2 1 noname 0.0012 18 C9 1.9018 -0.5649 -3.4670 C.2 1 noname -0.0362 19 N2 1.6936 2.8482 -2.3665 N.2 1 noname -0.2388 20 C10 0.2636 1.7625 -4.1182 C.2 1 noname -0.0155 21 C11 0.8824 -0.6404 -4.4568 C.2 1 noname -0.0468 22 C12 0.0767 0.4996 -4.7676 C.2 1 noname -0.0442 23 C13 0.6560 -1.8975 -5.1641 C.3 1 noname 0.0000 24 C14 -0.9691 0.3722 -5.7783 C.3 1 noname 0.0002 25 H1 4.8469 1.5232 4.1603 H 1 noname 0.2283 26 H2 5.3380 -1.2020 5.0780 H 1 noname 0.2283 27 H3 4.9712 0.0539 1.1222 H 1 noname 0.0605 28 H4 5.4653 -1.6674 1.7199 H 1 noname 0.0605 29 H5 3.8033 -2.5942 0.1726 H 1 noname 0.0657 30 H6 6.3149 -1.4783 -0.6618 H 1 noname 0.0657 31 H7 4.2233 0.9593 -0.3528 H 1 noname 0.0852 32 H8 5.2863 -3.4949 -1.2138 H 1 noname 0.2106 33 H9 5.7083 0.2709 -2.3173 H 1 noname 0.0674 34 H10 4.3325 -1.8355 -3.1352 H 1 noname 0.2107 35 H11 3.2174 2.9839 -0.8197 H 1 noname 0.1016 36 H12 2.5205 -1.4292 -3.2254 H 1 noname 0.0646 37 H13 -0.3445 2.6332 -4.3635 H 1 noname 0.0648 38 H14 0.5115 -2.7003 -4.4411 H 1 noname 0.0280 39 H15 -0.2321 -1.8076 -5.7897 H 1 noname 0.0280 40 H16 1.5197 -2.1230 -5.7897 H 1 noname 0.0280 41 H17 -1.9356 0.2544 -5.2883 H 1 noname 0.0280 42 H18 -0.9839 1.2670 -6.4007 H 1 noname 0.0280 43 H19 -0.7686 -0.4999 -6.4007 H 1 noname 0.0280 @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 9 12 1 12 10 13 1 13 10 12 1 14 12 14 1 15 13 15 1 16 13 16 1 17 15 17 2 18 15 18 1 19 16 19 2 20 17 20 1 21 17 19 1 22 18 21 2 23 20 22 2 24 21 23 1 25 21 22 1 26 22 24 1 27 4 25 1 28 5 26 1 29 6 27 1 30 6 28 1 31 7 29 1 32 9 30 1 33 10 31 1 34 11 32 1 35 12 33 1 36 14 34 1 37 16 35 1 38 18 36 1 39 20 37 1 40 23 38 1 41 23 39 1 42 23 40 1 43 24 41 1 44 24 42 1 45 24 43 1 @SUBSTRUCTURE 1 noname 1