@MOLECULE DB03034 46 49 1 SMALL USER_CHARGES @ATOM 1 F1 2.3505 3.2227 0.6741 F 1 noname -0.1642 2 C1 1.5595 2.2145 0.4494 C.2 1 noname 0.0043 3 C2 2.0950 0.8844 0.5233 C.2 1 noname 0.0611 4 C3 0.2176 2.4649 0.1445 C.2 1 noname 0.0201 5 N1 3.4467 0.7510 0.8196 N.3 1 noname -0.1014 6 C4 1.2421 -0.2461 0.2528 C.2 1 noname 0.0138 7 C5 -0.5903 1.3458 -0.1383 C.2 1 noname -0.0245 8 C6 4.3321 0.0286 -0.0934 C.3 1 noname 0.0161 9 C7 4.0782 1.4328 1.9478 C.3 1 noname 0.0161 10 O1 1.6823 -1.5650 0.3605 O.3 1 noname -0.2644 11 C8 -0.1125 -0.0044 -0.1148 C.2 1 noname 0.0350 12 C9 -1.9147 1.5961 -0.5253 C.2 1 noname 0.1018 13 C10 5.7575 0.6580 -0.2840 C.3 1 noname 0.0112 14 C11 5.0481 2.5214 1.3943 C.3 1 noname 0.0112 15 C12 1.0893 -2.5165 -0.5662 C.3 1 noname 0.0696 16 N2 -0.9396 -1.0544 -0.5156 N.3 1 noname -0.0084 17 O2 -2.3496 2.7679 -0.5182 O.2 1 noname -0.2871 18 C13 -2.7648 0.5364 -0.9240 C.2 1 noname 0.1047 19 N3 5.9026 2.0572 0.2568 N.3 1 noname -0.3037 20 C14 -0.4632 -2.4304 -0.6060 C.3 1 noname 0.0401 21 C15 -2.2346 -0.7768 -0.9209 C.2 1 noname -0.0263 22 C16 -4.0791 0.7775 -1.3067 C.2 1 noname 0.1210 23 C17 7.3079 2.3171 0.5652 C.3 1 noname -0.0132 24 C18 -1.0072 -3.3890 0.4790 C.3 1 noname -0.0465 25 O3 -4.8129 -0.1725 -1.6552 O.2 1 noname -0.2524 26 O4 -4.5632 2.0378 -1.3019 O.3 1 noname -0.2143 27 H1 -0.1784 3.4803 0.1281 H 1 noname 0.0662 28 H2 4.4750 -0.9399 0.3861 H 1 noname 0.0448 29 H3 3.8271 0.0902 -1.0573 H 1 noname 0.0448 30 H4 3.2717 1.9382 2.4791 H 1 noname 0.0448 31 H5 4.6754 0.6759 2.4562 H 1 noname 0.0448 32 H6 6.4434 0.0554 0.3114 H 1 noname 0.0443 33 H7 5.9106 0.7562 -1.3587 H 1 noname 0.0443 34 H8 4.4235 3.3096 0.9741 H 1 noname 0.0443 35 H9 5.7485 2.7510 2.1974 H 1 noname 0.0443 36 H10 1.4560 -2.2150 -1.5474 H 1 noname 0.0588 37 H11 1.3496 -3.4957 -0.1644 H 1 noname 0.0588 38 H12 -0.8875 -2.6947 -1.5746 H 1 noname 0.0496 39 H13 -2.8527 -1.6137 -1.2458 H 1 noname 0.0765 40 H14 7.4440 2.3423 1.6464 H 1 noname 0.0394 41 H15 7.9256 1.5263 0.1395 H 1 noname 0.0394 42 H16 7.6018 3.2766 0.1395 H 1 noname 0.0394 43 H17 -0.7792 -2.9872 1.4662 H 1 noname 0.0247 44 H18 -2.0869 -3.4885 0.3677 H 1 noname 0.0247 45 H19 -0.5388 -4.3669 0.3677 H 1 noname 0.0247 46 H20 -4.6768 2.3335 -0.3957 H 1 noname 0.2216 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 1 9 6 10 1 10 6 11 2 11 7 12 1 12 7 11 1 13 8 13 1 14 9 14 1 15 10 15 1 16 11 16 1 17 12 17 2 18 12 18 1 19 13 19 1 20 14 19 1 21 15 20 1 22 16 21 1 23 16 20 1 24 18 22 1 25 18 21 2 26 19 23 1 27 20 24 1 28 22 25 2 29 22 26 1 30 4 27 1 31 8 28 1 32 8 29 1 33 9 30 1 34 9 31 1 35 13 32 1 36 13 33 1 37 14 34 1 38 14 35 1 39 15 36 1 40 15 37 1 41 20 38 1 42 21 39 1 43 23 40 1 44 23 41 1 45 23 42 1 46 24 43 1 47 24 44 1 48 24 45 1 49 26 46 1 @SUBSTRUCTURE 1 noname 1