@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4067 62 65 1 SMALL USER_CHARGES @ATOM 1 O1 3.6191 0.7936 -2.0291 O.2 1 noname -0.2734 2 C1 2.8001 1.3756 -1.2801 C.2 1 noname 0.1066 3 N1 1.9252 0.6337 -0.5101 N.3 1 noname -0.1019 4 C2 2.7901 2.8006 -1.2271 C.2 1 noname 0.0431 5 C3 1.0272 1.2547 0.3298 C.2 1 noname 0.0591 6 C4 1.9321 -0.8000 -0.5611 C.3 1 noname 0.0012 7 C5 3.6770 3.5866 -2.0000 C.2 1 noname -0.0361 8 C6 1.8691 3.4266 -0.3751 C.2 1 noname 0.0151 9 N2 0.1732 0.5288 1.0958 N.2 1 noname -0.2013 10 C7 0.9841 2.6627 0.4108 C.2 1 noname 0.0151 11 C8 4.6168 4.4336 -1.3700 C.2 1 noname -0.0369 12 C9 3.6349 3.5417 -3.4108 C.2 1 noname -0.0369 13 C10 -0.7187 1.0989 1.9438 C.2 1 noname 0.0902 14 C11 0.0491 3.2407 1.2848 C.2 1 noname 0.0266 15 C12 5.4947 5.2196 -2.1359 C.2 1 noname -0.0545 16 C13 4.5148 4.3267 -4.1757 C.2 1 noname -0.0545 17 N3 -0.7667 2.4488 2.0199 N.2 1 noname -0.2281 18 N4 -1.5787 0.3959 2.7188 N.3 1 noname 0.0279 19 C14 5.4447 5.1646 -3.5388 C.2 1 noname -0.0509 20 C15 -1.7067 -0.9548 2.7959 C.2 1 noname -0.0401 21 C16 -2.9917 -1.4628 3.0649 C.2 1 noname -0.0437 22 C17 -0.6309 -1.8607 2.6739 C.2 1 noname -0.0437 23 C18 -3.2067 -2.8456 3.1849 C.2 1 noname -0.0300 24 C19 -0.8469 -3.2446 2.7870 C.2 1 noname -0.0300 25 C20 -2.1329 -3.7485 3.0440 C.2 1 noname -0.0202 26 O2 -2.2639 -5.1034 3.1460 O.3 1 noname -0.2777 27 C21 -3.4929 -5.7303 3.5231 C.3 1 noname 0.0661 28 C22 -3.2749 -7.2482 3.5621 C.3 1 noname 0.0223 29 N5 -4.4499 -7.9431 4.1381 N.3 1 noname -0.3015 30 C23 -5.5319 -8.0580 3.1342 C.3 1 noname -0.0046 31 C24 -4.0610 -9.2799 4.6431 C.3 1 noname -0.0046 32 C25 -6.8948 -8.2409 3.8172 C.3 1 noname -0.0524 33 C26 -3.3881 -9.1739 6.0191 C.3 1 noname -0.0524 34 H1 0.9521 -1.1590 -0.8790 H 1 noname 0.0404 35 H2 2.1501 -1.2010 0.4308 H 1 noname 0.0404 36 H3 2.6770 -1.1920 -1.2549 H 1 noname 0.0404 37 H4 1.8371 4.4476 -0.3190 H 1 noname 0.0638 38 H5 4.6678 4.4816 -0.3510 H 1 noname 0.0629 39 H6 2.9659 2.9357 -3.8887 H 1 noname 0.0629 40 H7 -0.0218 4.2547 1.3749 H 1 noname 0.0848 41 H8 6.1686 5.8286 -1.6739 H 1 noname 0.0622 42 H9 4.4787 4.2867 -5.1946 H 1 noname 0.0622 43 H10 -2.1997 0.9200 3.2478 H 1 noname 0.1373 44 H11 6.0836 5.7346 -4.0947 H 1 noname 0.0622 45 H12 -3.7807 -0.8238 3.1740 H 1 noname 0.0640 46 H13 0.3160 -1.5197 2.5090 H 1 noname 0.0640 47 H14 -4.1468 -3.1895 3.3760 H 1 noname 0.0650 48 H15 -0.0600 -3.8865 2.6910 H 1 noname 0.0650 49 H16 -3.7959 -5.3893 4.5150 H 1 noname 0.0585 50 H17 -4.2709 -5.4853 2.7991 H 1 noname 0.0585 51 H18 -3.0710 -7.6161 2.5552 H 1 noname 0.0454 52 H19 -2.3940 -7.4291 4.1761 H 1 noname 0.0454 53 H20 -5.5949 -7.1500 2.5363 H 1 noname 0.0427 54 H21 -5.3420 -8.8969 2.4623 H 1 noname 0.0427 55 H22 -4.9420 -9.9099 4.7651 H 1 noname 0.0427 56 H23 -3.3850 -9.7709 3.9412 H 1 noname 0.0427 57 H24 -7.6798 -8.2409 3.0613 H 1 noname 0.0243 58 H25 -6.9279 -9.1838 4.3622 H 1 noname 0.0243 59 H26 -7.0669 -7.4180 4.5112 H 1 noname 0.0243 60 H27 -3.2051 -10.1748 6.4081 H 1 noname 0.0243 61 H28 -2.4382 -8.6459 5.9421 H 1 noname 0.0243 62 H29 -4.0441 -8.6369 6.7041 H 1 noname 0.0243 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 2 9 5 10 1 10 6 34 1 11 6 35 1 12 6 36 1 13 7 11 2 14 7 12 1 15 8 10 1 16 8 37 1 17 9 13 1 18 10 14 2 19 11 15 1 20 11 38 1 21 12 16 2 22 12 39 1 23 13 17 2 24 13 18 1 25 14 17 1 26 14 40 1 27 15 19 2 28 15 41 1 29 16 19 1 30 16 42 1 31 18 20 1 32 18 43 1 33 19 44 1 34 20 21 2 35 20 22 1 36 21 23 1 37 21 45 1 38 22 24 2 39 22 46 1 40 23 25 2 41 23 47 1 42 24 25 1 43 24 48 1 44 25 26 1 45 26 27 1 46 27 28 1 47 27 49 1 48 27 50 1 49 28 29 1 50 28 51 1 51 28 52 1 52 29 30 1 53 29 31 1 54 30 32 1 55 30 53 1 56 30 54 1 57 31 33 1 58 31 55 1 59 31 56 1 60 32 57 1 61 32 58 1 62 32 59 1 63 33 60 1 64 33 61 1 65 33 62 1 @SUBSTRUCTURE 1 noname 1