@MOLECULE 116034 61 64 1 SMALL USER_CHARGES @ATOM 1 F1 3.0815 -1.0838 2.8388 F 1 noname -0.1568 2 C1 1.8291 -0.7800 3.0172 C.2 1 noname 0.0676 3 C2 1.3698 -0.2158 4.2462 C.2 1 noname 0.0465 4 C3 0.8627 -0.9966 1.9959 C.2 1 noname 0.0321 5 C4 2.3442 0.1681 5.2828 C.2 1 noname 0.0324 6 C5 0.0085 0.1136 4.5193 C.2 1 noname 0.0037 7 C6 -0.5207 -0.6664 2.2076 C.2 1 noname -0.0001 8 O1 2.6007 -0.5901 6.2429 O.2 1 noname -0.2913 9 N1 3.0137 1.4943 5.1451 N.3 1 noname -0.0633 10 C7 -0.9365 -0.1067 3.4828 C.2 1 noname -0.0216 11 C8 -1.5131 -0.8887 1.1748 C.2 1 noname 0.0476 12 C9 3.6794 1.8330 6.4354 C.3 1 noname 0.0189 13 C10 2.2821 2.6131 4.4270 C.3 1 noname 0.0189 14 N2 -2.6039 -0.0508 1.2385 N.2 1 noname -0.2222 15 C11 -1.4789 -1.8956 0.1403 C.2 1 noname 0.0406 16 C12 2.7885 2.6885 7.3957 C.3 1 noname 0.0113 17 C13 1.7947 3.7992 5.3069 C.3 1 noname 0.0113 18 C14 -3.6850 -0.1231 0.4111 C.2 1 noname 0.0454 19 C15 -0.5375 -2.7941 -0.1149 C.1 1 noname -0.0101 20 C16 -2.6086 -1.9539 -0.6989 C.2 1 noname 0.0370 21 N3 1.6488 3.4037 6.7337 N.3 1 noname -0.3037 22 N4 -3.6543 -1.0948 -0.5450 N.2 1 noname -0.2309 23 C17 0.3011 -3.6213 -0.3783 C.1 1 noname -0.0268 24 C18 -2.6598 -2.9578 -1.7577 C.3 1 noname 0.0467 25 C19 1.2803 4.5740 7.5286 C.3 1 noname -0.0132 26 C20 1.2372 -4.5266 -0.6546 C.2 1 noname -0.0250 27 C21 -3.8703 -3.8678 -1.5395 C.3 1 noname -0.0597 28 C22 2.4994 -4.4781 0.0162 C.2 1 noname 0.0133 29 C23 1.0100 -5.5655 -1.6184 C.2 1 noname -0.0239 30 N5 3.4341 -5.4433 -0.3066 N.2 1 noname -0.2618 31 C24 1.9901 -6.5517 -1.9356 C.2 1 noname -0.0301 32 C25 3.2230 -6.4460 -1.2328 C.2 1 noname 0.0185 33 N6 4.1963 -7.3349 -1.4738 N.3 1 noname -0.1129 34 C26 5.3419 -6.6613 -1.9450 C.3 1 noname -0.0101 35 H1 1.1845 -1.4188 1.0439 H 1 noname 0.0660 36 H2 -0.2980 0.5185 5.4838 H 1 noname 0.0631 37 H3 -1.9791 0.1534 3.6657 H 1 noname 0.0629 38 H4 3.8424 0.8744 6.9279 H 1 noname 0.0449 39 H5 4.5305 2.4550 6.1581 H 1 noname 0.0449 40 H6 3.0203 3.0344 3.7446 H 1 noname 0.0449 41 H7 1.3794 2.1463 4.0328 H 1 noname 0.0449 42 H8 2.3145 1.9872 8.0824 H 1 noname 0.0443 43 H9 3.4271 3.4826 7.7824 H 1 noname 0.0443 44 H10 2.5820 4.5530 5.2931 H 1 noname 0.0443 45 H11 0.7895 4.0549 4.9717 H 1 noname 0.0443 46 H12 -4.5291 0.5596 0.5088 H 1 noname 0.1061 47 H13 -2.8241 -2.4080 -2.6844 H 1 noname 0.0329 48 H14 -1.7640 -3.5669 -1.6369 H 1 noname 0.0329 49 H15 1.3565 4.3319 8.5887 H 1 noname 0.0394 50 H16 1.9537 5.3987 7.2950 H 1 noname 0.0394 51 H17 0.2559 4.8641 7.2950 H 1 noname 0.0394 52 H18 -4.0406 -3.9959 -0.4706 H 1 noname 0.0234 53 H19 -4.7511 -3.4166 -1.9963 H 1 noname 0.0234 54 H20 -3.6815 -4.8393 -1.9963 H 1 noname 0.0234 55 H21 2.7445 -3.7197 0.7597 H 1 noname 0.0853 56 H22 0.0499 -5.6075 -2.1326 H 1 noname 0.0637 57 H23 1.8082 -7.3370 -2.6693 H 1 noname 0.0656 58 H24 4.0868 -8.3282 -1.3276 H 1 noname 0.1292 59 H25 5.9331 -6.3137 -1.0978 H 1 noname 0.0396 60 H26 5.9402 -7.3419 -2.5507 H 1 noname 0.0396 61 H27 5.0380 -5.8076 -2.5507 H 1 noname 0.0396 @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 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 17 21 1 23 18 22 2 24 19 23 3 25 20 24 1 26 20 22 1 27 21 25 1 28 23 26 1 29 24 27 1 30 26 28 2 31 26 29 1 32 28 30 1 33 29 31 2 34 30 32 2 35 31 32 1 36 32 33 1 37 33 34 1 38 4 35 1 39 6 36 1 40 10 37 1 41 12 38 1 42 12 39 1 43 13 40 1 44 13 41 1 45 16 42 1 46 16 43 1 47 17 44 1 48 17 45 1 49 18 46 1 50 24 47 1 51 24 48 1 52 25 49 1 53 25 50 1 54 25 51 1 55 27 52 1 56 27 53 1 57 27 54 1 58 28 55 1 59 29 56 1 60 31 57 1 61 33 58 1 62 34 59 1 63 34 60 1 64 34 61 1 @SUBSTRUCTURE 1 noname 1