@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444918 62 65 1 SMALL USER_CHARGES @ATOM 1 Cl1 11.5567 -19.3722 -1.6704 Cl 1 noname -0.0850 2 C1 12.8636 -20.2921 -1.1173 C.2 1 noname -0.0138 3 C2 14.1826 -19.8831 -1.3903 C.2 1 noname -0.0243 4 C3 12.6396 -21.4681 -0.3783 C.2 1 noname -0.0243 5 C4 15.2676 -20.6481 -0.9283 C.2 1 noname -0.0411 6 C5 13.7275 -22.2291 0.0837 C.2 1 noname -0.0411 7 C6 15.0555 -21.8330 -0.1912 C.2 1 noname -0.0407 8 C7 16.1545 -22.5490 0.2548 C.2 1 noname -0.0458 9 C8 16.1645 -23.8800 0.4358 C.2 1 noname -0.0451 10 C9 17.2694 -24.5960 0.8619 C.2 1 noname -0.0337 11 C10 18.2284 -24.0559 1.7489 C.2 1 noname -0.0117 12 C11 17.4314 -25.9229 0.4139 C.2 1 noname -0.0348 13 C12 19.3494 -24.8079 2.1729 C.2 1 noname 0.0533 14 C13 18.5284 -26.6919 0.8320 C.2 1 noname -0.0045 15 C14 19.4793 -26.1409 1.7040 C.2 1 noname 0.0450 16 C15 20.3443 -24.3098 3.0540 C.2 1 noname 0.0314 17 N1 20.5283 -26.9008 2.1011 N.2 1 noname -0.1892 18 C16 20.3243 -23.0278 3.5660 C.2 1 noname 0.0906 19 C17 21.4123 -25.1478 3.4380 C.2 1 noname 0.0565 20 C18 21.4973 -26.4638 2.9451 C.2 1 noname 0.0546 21 O1 20.1662 -22.0547 2.8451 O.2 1 noname -0.2586 22 O2 20.5392 -22.8107 4.8511 O.3 1 noname -0.2184 23 C19 22.5472 -27.3347 3.2972 C.2 1 noname 0.0413 24 O3 23.4912 -26.9516 4.0262 O.2 1 noname -0.2852 25 N2 22.5272 -28.6107 2.8492 N.3 1 noname -0.0646 26 C20 23.5342 -29.5746 3.1363 C.3 1 noname 0.0418 27 C21 24.8441 -29.2356 2.4004 C.3 1 noname 0.0624 28 C22 23.0511 -30.9746 2.6953 C.3 1 noname -0.0097 29 O4 24.6141 -29.1705 0.9934 O.3 1 noname -0.3829 30 C23 21.8431 -31.4155 3.4234 C.2 1 noname -0.0661 31 C24 25.7350 -28.8495 0.1764 C.3 1 noname 0.0356 32 C25 21.9030 -31.6695 4.8085 C.2 1 noname -0.0476 33 C26 20.6190 -31.5875 2.7454 C.2 1 noname -0.0476 34 C27 20.7559 -32.0864 5.5065 C.2 1 noname -0.0312 35 C28 19.4710 -32.0035 3.4425 C.2 1 noname -0.0312 36 C29 19.5389 -32.2524 4.8245 C.2 1 noname -0.0019 37 O5 18.4398 -32.6523 5.4996 O.3 1 noname -0.2861 38 H1 14.3616 -19.0310 -1.9242 H 1 noname 0.0638 39 H2 11.6885 -21.7751 -0.1692 H 1 noname 0.0638 40 H3 16.2175 -20.3360 -1.1372 H 1 noname 0.0629 41 H4 13.5415 -23.0720 0.6267 H 1 noname 0.0629 42 H5 16.9905 -22.0409 0.4228 H 1 noname 0.0629 43 H6 15.3414 -24.3939 0.2239 H 1 noname 0.0629 44 H7 18.0983 -23.1049 2.0940 H 1 noname 0.0636 45 H8 16.7484 -26.3389 -0.2209 H 1 noname 0.0629 46 H9 18.6314 -27.6519 0.5000 H 1 noname 0.0645 47 H10 22.1323 -24.7957 4.0731 H 1 noname 0.0655 48 H11 20.5232 -21.8626 5.0962 H 1 noname 0.2216 49 H12 21.7681 -28.8856 2.3113 H 1 noname 0.1318 50 H13 23.7351 -29.5886 4.2104 H 1 noname 0.0496 51 H14 25.5851 -30.0065 2.6134 H 1 noname 0.0582 52 H15 25.2241 -28.2765 2.7534 H 1 noname 0.0582 53 H16 23.8481 -31.6986 2.8734 H 1 noname 0.0333 54 H17 22.8571 -30.9486 1.6214 H 1 noname 0.0333 55 H18 25.4250 -28.8444 -0.8685 H 1 noname 0.0529 56 H19 26.1180 -27.8634 0.4425 H 1 noname 0.0529 57 H20 26.5190 -29.5954 0.3135 H 1 noname 0.0529 58 H21 22.7830 -31.5524 5.3115 H 1 noname 0.0626 59 H22 20.5590 -31.4065 1.7425 H 1 noname 0.0626 60 H23 20.8089 -32.2684 6.5095 H 1 noname 0.0650 61 H24 18.5889 -32.1235 2.9435 H 1 noname 0.0650 62 H25 17.6348 -32.7473 4.9496 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 38 1 6 4 6 2 7 4 39 1 8 5 7 2 9 5 40 1 10 6 7 1 11 6 41 1 12 7 8 1 13 8 9 2 14 8 42 1 15 9 10 1 16 9 43 1 17 10 11 2 18 10 12 1 19 11 13 1 20 11 44 1 21 12 14 2 22 12 45 1 23 13 15 1 24 13 16 2 25 14 15 1 26 14 46 1 27 15 17 2 28 16 18 1 29 16 19 1 30 17 20 1 31 18 21 2 32 18 22 1 33 19 20 2 34 19 47 1 35 20 23 1 36 22 48 1 37 23 24 2 38 23 25 1 39 25 26 1 40 25 49 1 41 26 27 1 42 26 28 1 43 26 50 1 44 27 29 1 45 27 51 1 46 27 52 1 47 28 30 1 48 28 53 1 49 28 54 1 50 29 31 1 51 30 32 2 52 30 33 1 53 31 55 1 54 31 56 1 55 31 57 1 56 32 34 1 57 32 58 1 58 33 35 2 59 33 59 1 60 34 36 2 61 34 60 1 62 35 36 1 63 35 61 1 64 36 37 1 65 37 62 1 @SUBSTRUCTURE 1 noname 1