@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3200 60 63 1 SMALL USER_CHARGES @ATOM 1 O1 14.6414 -5.5391 4.3064 O.2 1 noname -0.2573 2 C1 13.4863 -5.1941 4.5164 C.2 1 noname 0.0948 3 O2 13.1443 -4.7670 5.7344 O.3 1 noname -0.2045 4 C2 12.5383 -5.2400 3.5064 C.2 1 noname 0.0281 5 C3 14.0892 -4.7750 6.8105 C.3 1 noname 0.0708 6 C4 11.2363 -4.7390 3.7175 C.2 1 noname 0.0192 7 C5 12.8413 -5.7930 2.2425 C.2 1 noname 0.0192 8 C6 13.4892 -4.0840 8.0395 C.3 1 noname -0.0103 9 C7 14.3451 -6.2009 7.3135 C.3 1 noname -0.0258 10 C8 10.2633 -4.7880 2.7035 C.2 1 noname 0.0604 11 C9 11.8732 -5.8499 1.2266 C.2 1 noname 0.0604 12 C10 12.5452 -5.1509 8.6135 C.3 1 noname -0.0475 13 C11 12.7981 -2.7509 7.6755 C.3 1 noname -0.0225 14 C12 13.1941 -6.5028 8.2825 C.3 1 noname -0.0504 15 O3 9.0413 -4.2789 2.9806 O.3 1 noname -0.2755 16 C13 10.5712 -5.3499 1.4446 C.2 1 noname 0.0530 17 O4 12.1942 -6.4279 0.0456 O.3 1 noname -0.2755 18 C14 12.4091 -1.9699 8.8665 C.2 1 noname -0.0666 19 C15 9.6312 -5.4259 0.4316 C.2 1 noname 0.1031 20 C16 13.1370 -0.8209 9.2386 C.2 1 noname -0.0479 21 C17 11.3011 -2.3599 9.6466 C.2 1 noname -0.0479 22 O5 9.8471 -4.8128 -0.6042 O.2 1 noname -0.2873 23 C18 8.4671 -6.1768 0.5277 C.2 1 noname 0.0562 24 C19 12.7720 -0.0829 10.3776 C.2 1 noname -0.0313 25 C20 10.9330 -1.6219 10.7836 C.2 1 noname -0.0313 26 C21 8.5511 -7.5647 0.7997 C.2 1 noname 0.0517 27 C22 7.1861 -5.5888 0.3237 C.2 1 noname 0.0411 28 C23 11.6700 -0.4838 11.1516 C.2 1 noname -0.0019 29 O6 9.7370 -8.2057 0.9248 O.3 1 noname -0.2772 30 C24 7.3881 -8.3417 0.9198 C.2 1 noname 0.0017 31 C25 7.0211 -4.2518 0.0188 C.2 1 noname 0.0947 32 C26 6.0301 -6.3917 0.4388 C.2 1 noname -0.0086 33 O7 11.3230 0.2271 12.2476 O.3 1 noname -0.2861 34 C27 6.1280 -7.7567 0.7438 C.2 1 noname -0.0188 35 O8 6.2061 -3.8847 -0.8141 O.2 1 noname -0.2580 36 O9 7.7070 -3.3137 0.6458 O.3 1 noname -0.2180 37 H1 15.0192 -4.2870 6.5135 H 1 noname 0.0612 38 H2 10.9863 -4.3290 4.6185 H 1 noname 0.0658 39 H3 13.7732 -6.1679 2.0615 H 1 noname 0.0658 40 H4 14.2931 -3.8979 8.7545 H 1 noname 0.0333 41 H5 15.2921 -6.2279 7.8545 H 1 noname 0.0293 42 H6 14.3691 -6.9198 6.4946 H 1 noname 0.0293 43 H7 11.5731 -5.0908 8.1236 H 1 noname 0.0270 44 H8 12.4281 -5.0309 9.6916 H 1 noname 0.0270 45 H9 13.4971 -2.1709 7.0686 H 1 noname 0.0319 46 H10 11.9151 -2.9469 7.0646 H 1 noname 0.0319 47 H11 12.4631 -7.1578 7.8066 H 1 noname 0.0267 48 H12 13.5791 -6.9748 9.1875 H 1 noname 0.0267 49 H13 8.4202 -4.2509 2.2236 H 1 noname 0.2182 50 H14 13.1281 -6.7178 -0.0302 H 1 noname 0.2182 51 H15 13.9400 -0.5218 8.6846 H 1 noname 0.0626 52 H16 10.7580 -3.1828 9.3856 H 1 noname 0.0626 53 H17 13.3079 0.7441 10.6426 H 1 noname 0.0650 54 H18 10.1310 -1.9148 11.3426 H 1 noname 0.0650 55 H19 10.5240 -7.6846 0.6618 H 1 noname 0.2182 56 H20 7.4600 -9.3396 1.1248 H 1 noname 0.0650 57 H21 5.1051 -5.9807 0.3018 H 1 noname 0.0631 58 H22 10.5469 -0.1237 12.7316 H 1 noname 0.2181 59 H23 5.2840 -8.3236 0.8278 H 1 noname 0.0623 60 H24 7.5140 -2.4087 0.3249 H 1 noname 0.2216 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 1 8 5 9 1 9 5 37 1 10 6 10 1 11 6 38 1 12 7 11 2 13 7 39 1 14 8 12 1 15 8 13 1 16 8 40 1 17 9 14 1 18 9 41 1 19 9 42 1 20 10 15 1 21 10 16 2 22 11 17 1 23 11 16 1 24 12 14 1 25 12 43 1 26 12 44 1 27 13 18 1 28 13 45 1 29 13 46 1 30 14 47 1 31 14 48 1 32 15 49 1 33 16 19 1 34 17 50 1 35 18 20 2 36 18 21 1 37 19 22 2 38 19 23 1 39 20 24 1 40 20 51 1 41 21 25 2 42 21 52 1 43 23 26 2 44 23 27 1 45 24 28 2 46 24 53 1 47 25 28 1 48 25 54 1 49 26 29 1 50 26 30 1 51 27 31 1 52 27 32 2 53 28 33 1 54 29 55 1 55 30 34 2 56 30 56 1 57 31 35 2 58 31 36 1 59 32 34 1 60 32 57 1 61 33 58 1 62 34 59 1 63 36 60 1 @SUBSTRUCTURE 1 noname 1