@MOLECULE DB07152 42 45 1 SMALL USER_CHARGES @ATOM 1 F1 1.5370 6.3159 2.6645 F 1 noname -0.1580 2 C1 2.3688 5.5161 2.0637 C.2 1 noname 0.0488 3 C2 1.8969 4.5912 1.0919 C.2 1 noname 0.0547 4 C3 3.7583 5.5611 2.3751 C.2 1 noname 0.0140 5 N1 2.8337 3.7418 0.5326 N.2 1 noname -0.2265 6 C4 0.4905 4.5410 0.7033 C.3 1 noname 0.0484 7 C5 4.6886 4.6965 1.7488 C.2 1 noname 0.0002 8 C6 4.1797 3.7034 0.8637 C.2 1 noname 0.0189 9 C7 5.0107 2.6576 0.3669 C.2 1 noname 0.0505 10 N2 4.8889 2.1720 -0.8812 N.2 1 noname -0.1977 11 C8 6.0568 1.9236 0.9949 C.2 1 noname -0.0423 12 C9 5.8568 1.2806 -1.0994 C.2 1 noname -0.0029 13 N3 6.5859 1.1459 0.0279 N.3 1 noname -0.0173 14 C10 6.4629 1.8663 2.3721 C.2 1 noname -0.0212 15 N4 6.0701 0.6264 -2.2493 N.3 1 noname -0.1078 16 C11 7.7781 1.4689 2.7492 C.2 1 noname 0.0125 17 C12 5.4869 2.1278 3.3939 C.2 1 noname -0.0289 18 C13 7.0803 -0.2489 -2.3447 C.2 1 noname 0.1374 19 C14 8.0634 1.3156 4.1348 C.2 1 noname 0.0612 20 C15 5.7502 2.0539 4.7741 C.2 1 noname -0.0004 21 O1 7.2792 -0.8591 -3.4173 O.2 1 noname -0.2749 22 C16 7.9485 -0.4898 -1.1959 C.3 1 noname 0.0099 23 N5 9.2401 0.8024 4.5871 N.2 1 noname -0.2303 24 C17 7.0366 1.6117 5.1141 C.2 1 noname 0.0651 25 C18 9.5044 0.5453 5.9087 C.2 1 noname 0.0205 26 N6 7.3225 1.3735 6.4298 N.2 1 noname -0.2313 27 C19 8.5031 0.8447 6.8717 C.2 1 noname 0.0221 28 H1 4.1198 6.2770 3.1133 H 1 noname 0.0654 29 H2 -0.1329 4.5188 1.5972 H 1 noname 0.0296 30 H3 0.2454 5.4228 0.1113 H 1 noname 0.0296 31 H4 0.3089 3.6440 0.1113 H 1 noname 0.0296 32 H5 5.7573 4.7920 1.9409 H 1 noname 0.0647 33 H6 7.3992 0.5560 0.1315 H 1 noname 0.1554 34 H7 5.4695 0.7931 -3.0440 H 1 noname 0.1399 35 H8 8.5460 1.2869 1.9973 H 1 noname 0.0653 36 H9 4.4735 2.4020 3.1007 H 1 noname 0.0630 37 H10 5.0092 2.3208 5.5277 H 1 noname 0.0646 38 H11 8.0623 -1.5633 -1.0453 H 1 noname 0.0324 39 H12 8.9257 -0.0429 -1.3789 H 1 noname 0.0324 40 H13 7.5056 -0.0429 -0.3058 H 1 noname 0.0324 41 H14 10.4703 0.1205 6.1824 H 1 noname 0.0856 42 H15 8.6393 0.6703 7.9390 H 1 noname 0.0856 @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 2 8 7 8 1 9 8 9 1 10 9 10 1 11 9 11 2 12 10 12 2 13 11 13 1 14 11 14 1 15 12 15 1 16 12 13 1 17 14 16 2 18 14 17 1 19 15 18 1 20 16 19 1 21 17 20 2 22 18 21 2 23 18 22 1 24 19 23 2 25 19 24 1 26 20 24 1 27 23 25 1 28 24 26 2 29 25 27 2 30 26 27 1 31 4 28 1 32 6 29 1 33 6 30 1 34 6 31 1 35 7 32 1 36 13 33 1 37 15 34 1 38 16 35 1 39 17 36 1 40 20 37 1 41 22 38 1 42 22 39 1 43 22 40 1 44 25 41 1 45 27 42 1 @SUBSTRUCTURE 1 noname 1