@MOLECULE 50315743 67 71 1 SMALL USER_CHARGES @ATOM 1 F1 16.5687 -2.0408 1.1303 F 1 noname -0.1660 2 C1 15.5831 -2.8538 0.8846 C.2 1 noname 0.0238 3 C2 15.8419 -4.1738 0.5342 C.2 1 noname -0.0005 4 C3 14.2714 -2.4024 0.9724 C.2 1 noname -0.0005 5 C4 14.7889 -5.0424 0.2717 C.2 1 noname -0.0174 6 C5 13.2185 -3.2710 0.7099 C.2 1 noname -0.0174 7 C6 13.4772 -4.5909 0.3595 C.2 1 noname -0.0239 8 N1 12.4621 -5.4283 0.1064 N.3 1 noname -0.1279 9 C7 11.1976 -4.9931 0.1911 C.2 1 noname 0.1199 10 O1 10.9649 -3.8061 0.5062 O.2 1 noname -0.2544 11 N2 10.1825 -5.8304 -0.0620 N.3 1 noname -0.1235 12 C8 8.9180 -5.3953 0.0227 C.2 1 noname -0.0039 13 C9 7.8964 -6.3305 0.3963 C.2 1 noname -0.0219 14 C10 8.6486 -4.0154 -0.2646 C.2 1 noname -0.0219 15 C11 6.5549 -5.8599 0.4913 C.2 1 noname -0.0124 16 C12 7.2973 -3.5663 -0.1629 C.2 1 noname -0.0124 17 C13 6.2452 -4.4826 0.2228 C.2 1 noname -0.0181 18 C14 4.8936 -4.0615 0.3458 C.2 1 noname 0.0639 19 N3 4.6100 -2.7644 0.1353 N.2 1 noname -0.2679 20 N4 3.8467 -4.8848 0.6484 N.2 1 noname -0.2572 21 C15 3.3669 -2.2451 0.1526 C.2 1 noname 0.0414 22 C16 2.5713 -4.4189 0.6860 C.2 1 noname 0.0868 23 N5 3.3178 -0.9694 -0.1783 N.3 1 noname -0.0896 24 C17 2.2814 -3.0902 0.4193 C.2 1 noname -0.0393 25 N6 1.4344 -5.0728 0.9357 N.3 1 noname -0.0059 26 C18 3.4274 0.0214 0.8731 C.3 1 noname 0.0281 27 C19 3.4791 -0.7784 -1.5997 C.3 1 noname 0.0281 28 C20 0.9023 -2.9124 0.4722 C.2 1 noname -0.0288 29 C21 0.4256 -4.1834 0.8068 C.2 1 noname -0.1028 30 C22 1.3099 -6.4367 1.2712 C.3 1 noname -0.0410 31 C23 4.1031 1.2896 0.2906 C.3 1 noname 0.0599 32 C24 4.8603 -0.0604 -1.6907 C.3 1 noname 0.0599 33 C25 1.1495 -7.2635 -0.0061 C.3 1 noname 0.0138 34 O2 5.0498 1.0777 -0.7894 O.3 1 noname -0.3786 35 N7 1.0204 -8.6776 0.3417 N.3 1 noname -0.3077 36 C26 0.8671 -9.4677 -0.8788 C.3 1 noname -0.0136 37 C27 2.2177 -9.1146 1.0580 C.3 1 noname -0.0136 38 H1 16.8705 -4.5278 0.4653 H 1 noname 0.0653 39 H2 14.0685 -1.3673 1.2472 H 1 noname 0.0653 40 H3 14.9918 -6.0775 -0.0031 H 1 noname 0.0640 41 H4 12.1898 -2.9170 0.7788 H 1 noname 0.0640 42 H5 12.6501 -6.3874 -0.1482 H 1 noname 0.1385 43 H6 10.3705 -6.7896 -0.3166 H 1 noname 0.1385 44 H7 8.1338 -7.3740 0.6031 H 1 noname 0.0639 45 H8 9.4459 -3.3295 -0.5512 H 1 noname 0.0639 46 H9 5.7635 -6.5556 0.7702 H 1 noname 0.0630 47 H10 7.0685 -2.5229 -0.3799 H 1 noname 0.0630 48 H11 2.4039 0.2785 1.1463 H 1 noname 0.0459 49 H12 4.0984 -0.4082 1.6169 H 1 noname 0.0459 50 H13 3.5566 -1.7685 -2.0490 H 1 noname 0.0459 51 H14 2.6944 -0.0937 -1.9217 H 1 noname 0.0459 52 H15 0.3337 -1.9995 0.2946 H 1 noname 0.0644 53 H16 -0.6207 -4.4523 0.9517 H 1 noname 0.0792 54 H17 2.2586 -6.7076 1.7344 H 1 noname 0.0486 55 H18 0.3841 -6.5100 1.8419 H 1 noname 0.0486 56 H19 3.3110 1.8821 -0.1674 H 1 noname 0.0580 57 H20 4.7088 1.7152 1.0906 H 1 noname 0.0580 58 H21 5.6096 -0.7830 -1.3674 H 1 noname 0.0580 59 H22 4.9194 0.3773 -2.6873 H 1 noname 0.0580 60 H23 0.2024 -6.9795 -0.4649 H 1 noname 0.0446 61 H24 2.0769 -7.1771 -0.5723 H 1 noname 0.0446 62 H25 0.8982 -10.5287 -0.6311 H 1 noname 0.0394 63 H26 -0.0886 -9.2317 -1.3468 H 1 noname 0.0394 64 H27 1.6775 -9.2317 -1.5685 H 1 noname 0.0394 65 H28 2.0423 -9.0506 2.1319 H 1 noname 0.0394 66 H29 2.4466 -10.1455 0.7881 H 1 noname 0.0394 67 H30 3.0568 -8.4734 0.7881 H 1 noname 0.0394 @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 2 11 9 11 1 12 11 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 15 17 2 18 16 17 1 19 17 18 1 20 18 19 2 21 18 20 1 22 19 21 1 23 20 22 2 24 21 23 1 25 21 24 2 26 22 25 1 27 22 24 1 28 23 26 1 29 23 27 1 30 24 28 1 31 25 29 1 32 25 30 1 33 26 31 1 34 27 32 1 35 28 29 2 36 30 33 1 37 31 34 1 38 32 34 1 39 33 35 1 40 35 36 1 41 35 37 1 42 3 38 1 43 4 39 1 44 5 40 1 45 6 41 1 46 8 42 1 47 11 43 1 48 13 44 1 49 14 45 1 50 15 46 1 51 16 47 1 52 26 48 1 53 26 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 29 53 1 58 30 54 1 59 30 55 1 60 31 56 1 61 31 57 1 62 32 58 1 63 32 59 1 64 33 60 1 65 33 61 1 66 36 62 1 67 36 63 1 68 36 64 1 69 37 65 1 70 37 66 1 71 37 67 1 @SUBSTRUCTURE 1 noname 1