@MOLECULE DB07410 48 51 1 SMALL USER_CHARGES @ATOM 1 P1 4.1698 -5.3257 -0.4590 P 1 noname 0.0364 2 O1 4.1654 -6.7259 -0.1229 O.2 1 noname -0.2175 3 O2 4.4244 -5.1611 -1.9689 O.3 1 noname -0.1845 4 O3 5.2831 -4.6119 0.3301 O.3 1 noname -0.1845 5 C1 2.7094 -4.6626 -0.0720 C.3 1 noname 0.2812 6 P2 2.7145 -3.0582 -0.4572 P 1 noname 0.0364 7 O4 1.6829 -5.3208 -0.7997 O.3 1 noname -0.3642 8 C2 2.4565 -4.8261 1.4280 C.3 1 noname 0.0289 9 O5 2.2524 -2.8879 -1.8104 O.2 1 noname -0.2175 10 O6 4.1458 -2.5042 -0.3300 O.3 1 noname -0.1845 11 O7 1.7821 -2.2967 0.5032 O.3 1 noname -0.1845 12 C3 1.1642 -4.2393 1.7705 C.2 1 noname -0.0468 13 C4 1.0842 -2.9015 2.1392 C.2 1 noname -0.0355 14 C5 0.0139 -5.0185 1.7279 C.2 1 noname -0.0490 15 C6 -0.1462 -2.3428 2.4652 C.2 1 noname -0.0364 16 C7 -1.2164 -4.4598 2.0539 C.2 1 noname -0.0540 17 C8 -0.2262 -1.0050 2.8339 C.2 1 noname 0.0147 18 C9 -1.2965 -3.1220 2.4226 C.2 1 noname -0.0410 19 C10 0.6823 -0.0391 2.3300 C.2 1 noname 0.0459 20 C11 -1.2288 -0.5353 3.7399 C.2 1 noname -0.0339 21 O8 1.7029 -0.2078 1.4444 O.3 1 noname -0.3498 22 C12 0.6005 1.3278 2.7183 C.2 1 noname 0.0150 23 C13 -1.3180 0.8474 4.1043 C.2 1 noname -0.0483 24 C14 2.3028 1.0150 1.2828 C.2 1 noname 0.0408 25 C15 1.5931 2.0012 2.0247 C.2 1 noname 0.0135 26 C16 -0.4082 1.8145 3.6036 C.2 1 noname -0.0333 27 C17 3.4405 1.3521 0.4923 C.2 1 noname -0.0041 28 C18 1.9243 3.3924 1.9599 C.2 1 noname -0.0297 29 C19 3.8135 2.7275 0.4646 C.2 1 noname -0.0435 30 C20 3.0533 3.7303 1.1669 C.2 1 noname -0.0515 31 H1 4.4934 -6.0268 -2.3781 H 1 noname 0.2260 32 H2 5.1240 -4.7139 1.2713 H 1 noname 0.2260 33 H3 1.0612 -5.7195 -0.1864 H 1 noname 0.2129 34 H4 2.3648 -5.8929 1.6320 H 1 noname 0.0363 35 H5 3.2041 -4.2329 1.9546 H 1 noname 0.0363 36 H6 4.3734 -2.4161 0.5984 H 1 noname 0.2260 37 H7 2.0255 -2.4955 1.4103 H 1 noname 0.2260 38 H8 1.9862 -2.2905 2.1726 H 1 noname 0.0632 39 H9 0.0766 -6.0676 1.4388 H 1 noname 0.0625 40 H10 -2.1185 -5.0708 2.0205 H 1 noname 0.0622 41 H11 -2.2612 -2.6839 2.6783 H 1 noname 0.0629 42 H12 -1.9396 -1.2460 4.1615 H 1 noname 0.0630 43 H13 -2.1041 1.1745 4.7849 H 1 noname 0.0623 44 H14 -0.4798 2.8660 3.8817 H 1 noname 0.0630 45 H15 3.9968 0.5967 -0.0626 H 1 noname 0.0650 46 H16 1.3480 4.1534 2.4860 H 1 noname 0.0630 47 H17 4.6967 3.0179 -0.1045 H 1 noname 0.0623 48 H18 3.3419 4.7790 1.0959 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 6 10 1 10 6 11 1 11 8 12 1 12 12 13 2 13 12 14 1 14 13 15 1 15 14 16 2 16 15 17 1 17 15 18 2 18 16 18 1 19 17 19 2 20 17 20 1 21 19 21 1 22 19 22 1 23 20 23 2 24 21 24 1 25 22 25 1 26 22 26 2 27 23 26 1 28 24 27 1 29 24 25 2 30 25 28 1 31 27 29 2 32 28 30 2 33 29 30 1 34 3 31 1 35 4 32 1 36 7 33 1 37 8 34 1 38 8 35 1 39 10 36 1 40 11 37 1 41 13 38 1 42 14 39 1 43 16 40 1 44 18 41 1 45 20 42 1 46 23 43 1 47 26 44 1 48 27 45 1 49 28 46 1 50 29 47 1 51 30 48 1 @SUBSTRUCTURE 1 noname 1