@MOLECULE DB02183 42 44 1 SMALL USER_CHARGES @ATOM 1 W1 7.2213 -1.9298 4.3778 W 1 noname 0.4552 2 O1 6.7920 -0.2790 3.2408 O.2 1 noname -0.2926 3 O2 8.4923 -3.2575 3.2623 O.3 1 noname -0.1180 4 O3 5.3953 -2.9445 4.8863 O.3 1 noname -0.2226 5 O4 8.2267 -1.3188 6.1774 O.3 1 noname -0.2346 6 W2 8.1217 -5.2855 3.8726 W 1 noname 0.4500 7 C1 4.7313 -3.3480 3.6977 C.3 1 noname 0.0606 8 O5 6.6413 -6.0907 2.7052 O.2 1 noname -0.2935 9 O6 7.5050 -5.3129 5.9320 O.3 1 noname -0.2353 10 O7 9.9203 -6.4417 3.6476 O.3 1 noname -0.2353 11 C2 3.4318 -4.0701 4.0595 C.3 1 noname 0.1101 12 O8 3.7275 -5.2071 4.8426 O.3 1 noname -0.3484 13 C3 2.7691 -4.5995 2.7831 C.3 1 noname 0.1126 14 C4 2.5966 -6.0325 4.6150 C.3 1 noname 0.1590 15 O9 1.5845 -3.8607 2.5234 O.3 1 noname -0.3873 16 C5 2.4059 -6.0477 3.1030 C.3 1 noname 0.1258 17 N1 2.7821 -7.3126 5.1989 N.3 1 noname 0.0257 18 O10 1.0364 -6.2701 2.8008 O.3 1 noname -0.3857 19 C6 3.7866 -8.1721 4.9543 C.2 1 noname 0.1238 20 C7 1.9995 -7.8298 6.1699 C.2 1 noname -0.0362 21 N2 4.8183 -8.1008 4.0623 N.2 1 noname -0.2441 22 C8 3.6026 -9.2341 5.8399 C.2 1 noname 0.0254 23 N3 2.5015 -9.0239 6.5676 N.2 1 noname -0.2172 24 C9 5.7408 -9.1111 4.0372 C.2 1 noname 0.0503 25 C10 4.5612 -10.2719 5.8151 C.2 1 noname 0.0729 26 N4 5.5921 -10.1558 4.9138 N.2 1 noname -0.2575 27 N5 4.4689 -11.3263 6.6370 N.3 1 noname -0.1031 28 H1 8.5018 -2.0956 6.6698 H 1 noname 0.1868 29 H2 4.4715 -2.4238 3.1816 H 1 noname 0.0574 30 H3 5.3971 -4.0687 3.2230 H 1 noname 0.0574 31 H4 7.4165 -6.2220 6.2275 H 1 noname 0.1868 32 H5 10.2677 -6.6650 4.5143 H 1 noname 0.1868 33 H6 2.7880 -3.4181 4.6499 H 1 noname 0.0656 34 H7 3.3671 -4.4779 1.8800 H 1 noname 0.0657 35 H8 1.7243 -5.6683 5.1577 H 1 noname 0.0853 36 H9 1.1771 -3.6067 3.3547 H 1 noname 0.2106 37 H10 2.9195 -6.8290 2.5427 H 1 noname 0.0674 38 H11 0.5377 -6.3510 3.6171 H 1 noname 0.2107 39 H12 1.1026 -7.3571 6.5702 H 1 noname 0.1016 40 H13 6.5744 -9.0842 3.3354 H 1 noname 0.1062 41 H14 3.5628 -11.6474 6.9467 H 1 noname 0.1258 42 H15 5.3055 -11.7999 6.9467 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 16 18 1 19 17 19 1 20 17 20 1 21 19 21 2 22 19 22 1 23 20 23 2 24 21 24 1 25 22 25 2 26 22 23 1 27 24 26 2 28 25 27 1 29 25 26 1 30 5 28 1 31 7 29 1 32 7 30 1 33 9 31 1 34 10 32 1 35 11 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 16 37 1 40 18 38 1 41 20 39 1 42 24 40 1 43 27 41 1 44 27 42 1 @SUBSTRUCTURE 1 noname 1