@MOLECULE DB04953 40 41 1 SMALL USER_CHARGES @ATOM 1 F1 0.1924 -1.4079 -1.0132 F 1 noname -0.1655 2 C1 0.6436 -0.1974 -0.8597 C.2 1 noname 0.0231 3 C2 1.4330 0.1159 0.2407 C.2 1 noname -0.0062 4 C3 0.3363 0.7828 -1.7962 C.2 1 noname -0.0062 5 C4 1.9150 1.4093 0.4046 C.2 1 noname -0.0366 6 C5 0.8184 2.0762 -1.6323 C.2 1 noname -0.0366 7 C6 1.6077 2.3894 -0.5319 C.2 1 noname -0.0512 8 C7 2.1141 3.7479 -0.3597 C.3 1 noname 0.0251 9 N1 1.1871 4.5039 0.3869 N.3 1 noname -0.1421 10 C8 1.6518 5.7508 0.5449 C.2 1 noname -0.0337 11 C9 0.9059 6.6860 1.2527 C.2 1 noname -0.0707 12 C10 2.8798 6.1089 0.0010 C.2 1 noname -0.0919 13 C11 1.3879 7.9794 1.4166 C.2 1 noname -0.0108 14 C12 3.3619 7.4023 0.1649 C.2 1 noname -0.0380 15 N2 0.6688 8.8810 2.0990 N.3 1 noname -0.1467 16 C13 2.6159 8.3375 0.8727 C.2 1 noname -0.0662 17 N3 3.0807 9.5844 1.0308 N.3 1 noname -0.1201 18 C14 4.4013 9.8062 1.0782 C.2 1 noname 0.1286 19 O1 4.8348 10.9693 1.2256 O.2 1 noname -0.2325 20 O2 5.2637 8.7735 0.9667 O.3 1 noname -0.1884 21 C15 6.6632 9.0086 1.0170 C.3 1 noname 0.0549 22 C16 7.4090 7.6810 0.8681 C.3 1 noname -0.0409 23 H1 1.6739 -0.6527 0.9750 H 1 noname 0.0653 24 H2 -0.2827 0.5371 -2.6591 H 1 noname 0.0653 25 H3 2.5340 1.6549 1.2675 H 1 noname 0.0627 26 H4 0.5774 2.8448 -2.3667 H 1 noname 0.0627 27 H5 3.0153 3.6846 0.2501 H 1 noname 0.0482 28 H6 2.1554 4.2075 -1.3472 H 1 noname 0.0482 29 H7 0.3024 4.1918 0.7610 H 1 noname 0.1285 30 H8 -0.0571 6.4051 1.6792 H 1 noname 0.0656 31 H9 3.4648 5.3755 -0.5540 H 1 noname 0.0639 32 H10 4.3249 7.6832 -0.2616 H 1 noname 0.0640 33 H11 1.0816 9.7662 2.3561 H 1 noname 0.1243 34 H12 -0.2860 8.6753 2.3561 H 1 noname 0.1243 35 H13 2.4355 10.3570 1.1141 H 1 noname 0.1396 36 H14 6.8867 9.6212 0.1436 H 1 noname 0.0570 37 H15 6.8575 9.3946 2.0177 H 1 noname 0.0570 38 H16 7.6351 7.2785 1.8555 H 1 noname 0.0254 39 H17 6.7856 6.9734 0.3213 H 1 noname 0.0254 40 H18 8.3375 7.8452 0.3213 H 1 noname 0.0254 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 11 13 1 14 12 14 2 15 13 15 1 16 13 16 2 17 14 16 1 18 16 17 1 19 17 18 1 20 18 19 2 21 18 20 1 22 20 21 1 23 21 22 1 24 3 23 1 25 4 24 1 26 5 25 1 27 6 26 1 28 8 27 1 29 8 28 1 30 9 29 1 31 11 30 1 32 12 31 1 33 14 32 1 34 15 33 1 35 15 34 1 36 17 35 1 37 21 36 1 38 21 37 1 39 22 38 1 40 22 39 1 41 22 40 1 @SUBSTRUCTURE 1 noname 1