@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446237 45 49 1 SMALL USER_CHARGES @ATOM 1 F1 8.7039 -11.5286 6.0608 F 1 noname -0.1661 2 C1 9.0568 -12.6815 5.3978 C.3 1 noname 0.4162 3 F2 8.4828 -13.7275 6.0798 F 1 noname -0.1661 4 F3 10.4228 -12.7965 5.4958 F 1 noname -0.1661 5 C2 8.6418 -12.7135 3.9688 C.2 1 noname 0.0119 6 C3 8.9507 -13.8435 3.1818 C.2 1 noname 0.0185 7 C4 7.9427 -11.6464 3.3588 C.2 1 noname 0.0011 8 C5 8.5777 -13.9065 1.8308 C.2 1 noname 0.0204 9 C6 7.5567 -11.6864 1.9988 C.2 1 noname -0.0002 10 O1 8.8826 -14.9934 1.0889 O.3 1 noname -0.2841 11 C7 7.8866 -12.8344 1.2459 C.2 1 noname 0.0097 12 C8 6.8596 -10.6033 1.4068 C.2 1 noname 0.0835 13 N1 6.5226 -9.5033 2.1379 N.2 1 noname -0.2140 14 N2 6.5095 -10.6263 0.0938 N.2 1 noname -0.2239 15 C9 5.8585 -8.4102 1.6679 C.2 1 noname 0.0951 16 C10 5.8505 -9.5772 -0.4410 C.2 1 noname 0.0991 17 N3 5.5984 -7.3791 2.5450 N.3 1 noname -0.0760 18 C11 5.5045 -8.4501 0.3030 C.2 1 noname 0.0317 19 C12 5.3944 -9.3651 -1.7300 C.2 1 noname 0.0961 20 C13 6.0004 -7.4500 3.9221 C.3 1 noname 0.0282 21 C14 4.9374 -6.1490 2.2140 C.3 1 noname 0.0282 22 O2 4.8524 -7.5620 -0.4929 O.3 1 noname -0.3453 23 C15 4.7844 -8.1141 -1.7290 C.2 1 noname 0.1153 24 C16 5.4504 -10.1321 -2.9020 C.2 1 noname 0.0040 25 C17 6.9464 -6.2810 4.2362 C.3 1 noname 0.0599 26 C18 5.8743 -4.9700 2.5211 C.3 1 noname 0.0599 27 N4 4.2323 -7.6160 -2.8620 N.2 1 noname -0.1953 28 C19 4.8713 -9.5970 -4.0700 C.2 1 noname -0.0165 29 O3 6.3173 -5.0529 3.8742 O.3 1 noname -0.3786 30 C20 4.2623 -8.3250 -4.0240 C.2 1 noname 0.0141 31 H1 9.4547 -14.6285 3.5999 H 1 noname 0.0656 32 H2 7.7137 -10.8234 3.9189 H 1 noname 0.0636 33 H3 9.3706 -15.6934 1.5689 H 1 noname 0.2181 34 H4 7.6245 -12.8993 0.2609 H 1 noname 0.0657 35 H5 5.1153 -7.3630 4.5542 H 1 noname 0.0459 36 H6 6.5094 -8.3780 4.1832 H 1 noname 0.0459 37 H7 4.0433 -6.0540 2.8321 H 1 noname 0.0459 38 H8 4.6313 -6.0700 1.1771 H 1 noname 0.0459 39 H9 5.8963 -11.0501 -2.9110 H 1 noname 0.0631 40 H10 7.8724 -6.3990 3.6712 H 1 noname 0.0580 41 H11 7.1754 -6.2710 5.3022 H 1 noname 0.0580 42 H12 6.7343 -5.0039 1.8501 H 1 noname 0.0580 43 H13 5.3413 -4.0309 2.3721 H 1 noname 0.0580 44 H14 4.8913 -10.1260 -4.9420 H 1 noname 0.0639 45 H15 3.8412 -7.9329 -4.8660 H 1 noname 0.0840 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 31 1 9 7 9 2 10 7 32 1 11 8 10 1 12 8 11 2 13 9 12 1 14 9 11 1 15 10 33 1 16 11 34 1 17 12 13 2 18 12 14 1 19 13 15 1 20 14 16 2 21 15 17 1 22 15 18 2 23 16 19 1 24 16 18 1 25 17 20 1 26 17 21 1 27 18 22 1 28 19 23 2 29 19 24 1 30 20 25 1 31 20 35 1 32 20 36 1 33 21 26 1 34 21 37 1 35 21 38 1 36 22 23 1 37 23 27 1 38 24 28 2 39 24 39 1 40 25 29 1 41 25 40 1 42 25 41 1 43 26 29 1 44 26 42 1 45 26 43 1 46 27 30 2 47 28 30 1 48 28 44 1 49 30 45 1 @SUBSTRUCTURE 1 noname 1