@MOLECULE 215303-72-3 56 59 1 SMALL USER_CHARGES @ATOM 1 O1 1.4957 0.6786 0.1949 O.3 1 noname -0.3952 2 C1 0.4519 -0.2172 0.5745 C.3 1 noname 0.0541 3 C2 -0.4846 0.4546 1.6074 C.3 1 noname 0.0326 4 C3 -1.5105 -0.3721 1.9968 C.1 1 noname -0.0587 5 C4 -2.3796 -1.1156 2.3478 C.1 1 noname -0.0057 6 C5 -3.2919 -1.9624 2.7443 C.2 1 noname 0.0068 7 N1 -4.5783 -1.8817 2.3657 N.2 1 noname -0.2094 8 C6 -5.2242 -2.9201 2.9192 C.2 1 noname 0.0400 9 C7 -6.5978 -3.1994 2.7307 C.2 1 noname -0.0308 10 C8 -7.0154 -4.4520 2.2212 C.2 1 noname -0.0131 11 C9 -8.3846 -4.7474 2.0797 C.2 1 noname 0.0009 12 C10 -9.3528 -3.7936 2.4462 C.2 1 noname 0.0346 13 F1 -10.6228 -4.0733 2.3310 F 1 noname -0.1643 14 C11 -8.9472 -2.5360 2.9320 C.2 1 noname 0.0009 15 C12 -7.5776 -2.2356 3.0630 C.2 1 noname -0.0131 16 C13 -4.3069 -3.6512 3.6815 C.2 1 noname -0.0581 17 N2 -3.1081 -3.0247 3.5693 N.2 1 noname 0.0062 18 C14 -1.8711 -3.3859 4.2296 C.3 1 noname -0.0357 19 C15 -0.9520 -4.2108 3.2856 C.3 1 noname -0.0329 20 C16 0.3207 -4.7817 3.9718 C.3 1 noname 0.0062 21 C17 1.0120 -5.7600 3.0871 C.2 1 noname -0.0579 22 C18 0.7512 -7.1472 3.2087 C.2 1 noname -0.0651 23 C19 1.3730 -8.0744 2.3520 C.2 1 noname -0.0635 24 C20 2.2721 -7.6276 1.3669 C.2 1 noname -0.0695 25 C21 2.5470 -6.2537 1.2374 C.2 1 noname -0.0635 26 C22 1.9228 -5.3257 2.0935 C.2 1 noname -0.0651 27 C23 -4.6208 -4.7905 4.4691 C.2 1 noname -0.0119 28 C24 -5.5149 -4.6640 5.5563 C.2 1 noname -0.0074 29 C25 -5.7829 -5.7811 6.3678 C.2 1 noname 0.0040 30 N3 -5.2021 -6.9753 6.0888 N.2 1 noname -0.2523 31 C26 -4.3606 -7.1451 5.0370 C.2 1 noname 0.0040 32 C27 -4.0555 -6.0579 4.1978 C.2 1 noname -0.0074 33 H1 1.9125 1.0364 0.9823 H 1 noname 0.2100 34 H2 -0.1205 -0.3898 -0.3369 H 1 noname 0.0573 35 H3 0.9557 -1.0487 1.0674 H 1 noname 0.0573 36 H4 0.0805 0.6211 2.5245 H 1 noname 0.0426 37 H5 -0.9902 1.2882 1.1199 H 1 noname 0.0426 38 H6 -6.2740 -5.1978 1.9344 H 1 noname 0.0630 39 H7 -8.6952 -5.7152 1.6861 H 1 noname 0.0653 40 H8 -9.6956 -1.7929 3.2074 H 1 noname 0.0653 41 H9 -7.2744 -1.2526 3.4233 H 1 noname 0.0630 42 H10 -1.3709 -2.4393 4.4344 H 1 noname 0.0473 43 H11 -2.1674 -4.0352 5.0535 H 1 noname 0.0473 44 H12 -1.5397 -5.0779 2.9841 H 1 noname 0.0286 45 H13 -0.5928 -3.5078 2.5340 H 1 noname 0.0286 46 H14 1.0184 -3.9536 4.0968 H 1 noname 0.0316 47 H15 -0.0095 -5.3520 4.8400 H 1 noname 0.0316 48 H16 0.0618 -7.5064 3.9728 H 1 noname 0.0625 49 H17 1.1583 -9.1384 2.4515 H 1 noname 0.0622 50 H18 2.7554 -8.3456 0.7042 H 1 noname 0.0622 51 H19 3.2437 -5.9081 0.4738 H 1 noname 0.0622 52 H20 2.1460 -4.2642 1.9864 H 1 noname 0.0625 53 H21 -5.9956 -3.7089 5.7679 H 1 noname 0.0645 54 H22 -6.4514 -5.7205 7.2266 H 1 noname 0.0839 55 H23 -3.9379 -8.1358 4.8696 H 1 noname 0.0839 56 H24 -3.3885 -6.1960 3.3468 H 1 noname 0.0645 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 3 5 5 6 1 6 6 7 ar 7 7 8 ar 8 8 9 1 9 9 10 ar 10 10 11 ar 11 11 12 ar 12 12 13 1 13 12 14 ar 14 14 15 ar 15 9 15 ar 16 8 16 ar 17 16 17 ar 18 6 17 ar 19 17 18 1 20 18 19 1 21 19 20 1 22 20 21 1 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 24 25 ar 27 25 26 ar 28 21 26 ar 29 16 27 1 30 27 28 ar 31 28 29 ar 32 29 30 ar 33 30 31 ar 34 31 32 ar 35 27 32 ar 36 1 33 1 37 2 34 1 38 2 35 1 39 3 36 1 40 3 37 1 41 10 38 1 42 11 39 1 43 14 40 1 44 15 41 1 45 18 42 1 46 18 43 1 47 19 44 1 48 19 45 1 49 20 46 1 50 20 47 1 51 22 48 1 52 23 49 1 53 24 50 1 54 25 51 1 55 26 52 1 56 28 53 1 57 29 54 1 58 31 55 1 59 32 56 1 @SUBSTRUCTURE 1 noname 1