@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447884 58 63 1 SMALL USER_CHARGES @ATOM 1 F1 11.9793 -19.7273 -5.0593 F 1 noname -0.1287 2 C1 11.1973 -18.9203 -4.4023 C.2 1 noname 0.0773 3 N1 10.9933 -17.6604 -4.8582 N.2 1 noname -0.2397 4 C2 10.5613 -19.3443 -3.2243 C.2 1 noname 0.0177 5 C3 10.1903 -16.7764 -4.2202 C.2 1 noname 0.0072 6 C4 9.7133 -18.4603 -2.5213 C.2 1 noname 0.0017 7 C5 9.5343 -17.1583 -3.0402 C.2 1 noname -0.0374 8 N2 9.0803 -18.8542 -1.3663 N.3 1 noname -0.1279 9 C6 8.1803 -18.0242 -0.6383 C.3 1 noname 0.0300 10 C7 9.2583 -20.1301 -0.7573 C.3 1 noname 0.0057 11 C8 7.5333 -18.9331 0.4166 C.3 1 noname 0.0786 12 C9 8.5763 -20.0301 0.6096 C.3 1 noname -0.0117 13 O1 7.2553 -18.2621 1.6496 O.3 1 noname -0.2712 14 C10 6.3173 -17.2801 1.6376 C.2 1 noname -0.0021 15 C11 6.7222 -15.9371 1.5487 C.2 1 noname -0.0295 16 C12 4.9473 -17.5941 1.6987 C.2 1 noname -0.0532 17 C13 5.7652 -14.9061 1.4717 C.2 1 noname -0.0226 18 C14 3.9883 -16.5671 1.6597 C.2 1 noname -0.0536 19 N3 6.1302 -13.6061 1.3718 N.3 1 noname -0.0066 20 C15 4.3972 -15.2271 1.5478 C.2 1 noname -0.0699 21 C16 6.8911 -13.0451 0.3919 C.2 1 noname 0.0218 22 C17 7.3520 -13.6460 -0.7899 C.2 1 noname 0.0667 23 C18 7.2480 -11.6941 0.3219 C.2 1 noname 0.0619 24 O2 7.2200 -14.8389 -1.1419 O.2 1 noname -0.2824 25 N4 7.9160 -12.7140 -1.5569 N.3 1 noname 0.0817 26 C19 7.8529 -11.5361 -0.9349 C.2 1 noname 0.0739 27 C20 7.0450 -10.6551 1.2749 C.2 1 noname -0.0147 28 O3 8.3209 -10.4830 -1.4208 O.2 1 noname -0.2850 29 C21 6.8470 -10.7041 2.6629 C.2 1 noname -0.0236 30 C22 7.0100 -9.2901 0.9630 C.2 1 noname -0.0808 31 C23 6.6440 -9.3931 3.1019 C.2 1 noname -0.0830 32 C24 6.9009 -11.7480 3.6089 C.2 1 noname -0.0371 33 N5 6.7439 -8.5641 2.0590 N.3 1 noname -0.0528 34 C25 6.4119 -9.0851 4.4519 C.2 1 noname -0.0434 35 C26 6.6709 -11.4599 4.9689 C.2 1 noname -0.0536 36 C27 6.4169 -10.1370 5.3869 C.2 1 noname -0.0511 37 H1 10.7153 -20.2952 -2.8883 H 1 noname 0.0687 38 H2 10.0632 -15.8363 -4.5971 H 1 noname 0.0840 39 H3 8.9353 -16.4833 -2.5652 H 1 noname 0.0655 40 H4 8.7322 -17.2142 -0.1603 H 1 noname 0.0461 41 H5 7.3983 -17.6172 -1.2813 H 1 noname 0.0461 42 H6 8.7823 -20.9040 -1.3622 H 1 noname 0.0435 43 H7 10.3152 -20.3621 -0.6123 H 1 noname 0.0435 44 H8 6.6273 -19.3830 0.0037 H 1 noname 0.0622 45 H9 9.3042 -19.7190 1.3606 H 1 noname 0.0307 46 H10 8.1153 -20.9740 0.8986 H 1 noname 0.0307 47 H11 7.7171 -15.7131 1.5138 H 1 noname 0.0666 48 H12 4.6503 -18.5670 1.7677 H 1 noname 0.0650 49 H13 2.9953 -16.7950 1.7068 H 1 noname 0.0624 50 H14 5.7701 -13.0051 2.0408 H 1 noname 0.1343 51 H15 3.6952 -14.4871 1.5128 H 1 noname 0.0639 52 H16 8.2979 -12.8650 -2.4338 H 1 noname 0.1407 53 H17 7.1249 -8.8921 0.0311 H 1 noname 0.0795 54 H18 7.1339 -12.6999 3.3370 H 1 noname 0.0629 55 H19 6.6549 -7.5991 2.0920 H 1 noname 0.1522 56 H20 6.2579 -8.1221 4.7499 H 1 noname 0.0642 57 H21 6.6999 -12.2119 5.6579 H 1 noname 0.0622 58 H22 6.2549 -9.9399 6.3749 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 37 1 7 5 7 2 8 5 38 1 9 6 8 1 10 6 7 1 11 7 39 1 12 8 9 1 13 8 10 1 14 9 11 1 15 9 40 1 16 9 41 1 17 10 12 1 18 10 42 1 19 10 43 1 20 11 13 1 21 11 12 1 22 11 44 1 23 12 45 1 24 12 46 1 25 13 14 1 26 14 15 2 27 14 16 1 28 15 17 1 29 15 47 1 30 16 18 2 31 16 48 1 32 17 19 1 33 17 20 2 34 18 20 1 35 18 49 1 36 19 21 1 37 19 50 1 38 20 51 1 39 21 22 1 40 21 23 2 41 22 24 2 42 22 25 1 43 23 26 1 44 23 27 1 45 25 26 1 46 25 52 1 47 26 28 2 48 27 29 1 49 27 30 2 50 29 31 2 51 29 32 1 52 30 33 1 53 30 53 1 54 31 34 1 55 31 33 1 56 32 35 2 57 32 54 1 58 33 55 1 59 34 36 2 60 34 56 1 61 35 36 1 62 35 57 1 63 36 58 1 @SUBSTRUCTURE 1 noname 1