@MOLECULE DB04694 34 34 1 SMALL USER_CHARGES @ATOM 1 F1 -0.6487 0.3829 -0.9787 F 1 noname -0.2377 2 C1 0.2545 -0.0981 -0.0373 C.3 1 noname 0.1922 3 C2 1.6684 0.5964 -0.1287 C.3 1 noname 0.2897 4 C3 -0.3723 -0.0185 1.3862 C.3 1 noname 0.1197 5 O1 2.3382 0.6807 1.1882 O.3 1 noname -0.3304 6 O2 2.5115 -0.2573 -0.9195 O.3 1 noname -0.3552 7 C4 1.5399 1.9164 -0.8183 C.2 1 noname 0.1678 8 O3 -1.7949 0.0185 1.3112 O.3 1 noname -0.3869 9 C5 0.1179 1.1781 2.2675 C.3 1 noname 0.1120 10 C6 1.6652 1.3945 2.2740 C.3 1 noname 0.1186 11 O4 2.2922 2.2782 -1.7431 O.2 1 noname -0.2324 12 O5 0.5184 2.7590 -0.4999 O.3 1 noname -0.2006 13 O6 -0.3228 0.9642 3.6046 O.3 1 noname -0.3874 14 C7 2.0819 2.8691 2.4698 C.3 1 noname 0.1111 15 O7 2.0875 3.7747 1.3717 O.3 1 noname -0.3874 16 C8 3.4331 2.9266 3.1852 C.3 1 noname 0.1056 17 O8 3.8161 4.2821 3.3651 O.3 1 noname -0.3878 18 C9 4.4874 2.2063 2.3424 C.3 1 noname 0.0718 19 O9 5.7415 2.2597 3.0064 O.3 1 noname -0.3934 20 H1 0.3504 -1.1348 -0.3600 H 1 noname 0.0754 21 H2 -0.1246 -0.9546 1.8867 H 1 noname 0.0661 22 H3 3.0492 -0.8018 -0.3399 H 1 noname 0.2142 23 H4 -2.1620 0.0280 2.1982 H 1 noname 0.2107 24 H5 -0.3550 2.0939 1.9130 H 1 noname 0.0657 25 H6 2.1010 0.8759 3.1280 H 1 noname 0.0661 26 H7 0.4416 2.8223 0.4550 H 1 noname 0.2215 27 H8 -0.3792 0.0213 3.7759 H 1 noname 0.2106 28 H9 1.2395 3.3275 2.9879 H 1 noname 0.0657 29 H10 2.0917 3.2800 0.5490 H 1 noname 0.2106 30 H11 3.3703 2.5060 4.1888 H 1 noname 0.0652 31 H12 3.8712 4.4772 4.3034 H 1 noname 0.2106 32 H13 4.2239 1.1493 2.3031 H 1 noname 0.0591 33 H14 4.6233 2.7687 1.4186 H 1 noname 0.0591 34 H15 5.6013 2.2537 3.9560 H 1 noname 0.2101 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 9 1 9 10 5 1 10 7 11 2 11 7 12 1 12 9 13 1 13 9 10 1 14 10 14 1 15 14 15 1 16 14 16 1 17 16 17 1 18 16 18 1 19 18 19 1 20 2 20 1 21 4 21 1 22 6 22 1 23 8 23 1 24 9 24 1 25 10 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 15 29 1 30 16 30 1 31 17 31 1 32 18 32 1 33 18 33 1 34 19 34 1 @SUBSTRUCTURE 1 noname 1