@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444091 64 70 1 SMALL USER_CHARGES @ATOM 1 O1 36.8382 -18.6124 3.2464 O.3 1 noname -0.3361 2 C1 35.8881 -17.7173 2.8654 C.2 1 noname 0.1217 3 C2 37.7992 -17.9143 3.8864 C.2 1 noname 0.0621 4 N1 36.2291 -16.4723 3.2595 N.2 1 noname -0.1861 5 C3 34.7241 -18.0673 2.1414 C.2 1 noname 0.0080 6 C4 39.0021 -18.3483 4.4865 C.2 1 noname 0.0543 7 C5 37.4061 -16.5832 3.8885 C.2 1 noname 0.0415 8 C6 33.7340 -17.1302 1.7685 C.2 1 noname 0.0684 9 C7 34.5290 -19.4073 1.7405 C.2 1 noname 0.0166 10 C8 39.8201 -17.3492 5.0896 C.2 1 noname 0.0282 11 C9 39.3511 -19.7313 4.4755 C.2 1 noname -0.0229 12 C10 38.2001 -15.5972 4.4835 C.2 1 noname 0.0014 13 N2 32.6649 -17.5312 1.0425 N.2 1 noname -0.2529 14 N3 33.7819 -15.8301 2.0965 N.3 1 noname -0.1095 15 C11 33.4119 -19.8092 0.9755 C.2 1 noname -0.0273 16 O2 41.0161 -17.7272 5.6426 O.3 1 noname -0.2722 17 C12 39.4091 -15.9911 5.0836 C.2 1 noname -0.0036 18 C13 39.1841 -20.5103 3.3005 C.2 1 noname -0.0101 19 C14 39.8581 -20.3623 5.6456 C.2 1 noname -0.0264 20 C15 32.4769 -18.8092 0.6385 C.2 1 noname 0.0296 21 C16 33.2489 -21.1522 0.5465 C.2 1 noname 0.0130 22 C17 41.9101 -16.8211 6.2947 C.3 1 noname 0.0423 23 C18 39.5230 -21.8713 3.3286 C.2 1 noname -0.0512 24 C19 40.2030 -21.7292 5.6576 C.2 1 noname -0.0230 25 C20 33.9399 -22.2852 0.9676 C.2 1 noname 0.0297 26 C21 32.3768 -21.6471 -0.4183 C.2 1 noname -0.0662 27 N4 39.4610 -22.8202 2.3856 N.3 1 noname -0.0153 28 C22 40.0220 -22.4622 4.4766 C.2 1 noname 0.0067 29 N5 33.5038 -23.3561 0.2856 N.2 1 noname -0.2932 30 N6 32.5818 -22.9691 -0.5393 N.3 1 noname -0.0213 31 N7 39.8870 -23.9562 2.8566 N.2 1 noname -0.2950 32 C23 40.2480 -23.7882 4.1447 C.2 1 noname 0.0272 33 C24 31.9117 -23.8271 -1.4573 C.3 1 noname -0.0220 34 C25 32.9297 -24.4741 -2.4123 C.3 1 noname -0.0199 35 C26 31.1367 -24.9261 -0.7112 C.3 1 noname -0.0199 36 C27 32.2137 -25.4481 -3.3593 C.3 1 noname -0.0030 37 C28 30.4886 -25.8841 -1.7222 C.3 1 noname -0.0030 38 N8 31.5136 -26.4871 -2.5872 N.3 1 noname -0.3165 39 H1 35.2310 -20.1042 1.9955 H 1 noname 0.0638 40 H2 37.9121 -14.6181 4.4776 H 1 noname 0.0647 41 H3 33.0699 -15.2361 1.8125 H 1 noname 0.1258 42 H4 34.5219 -15.4841 2.6206 H 1 noname 0.1258 43 H5 39.9970 -15.2771 5.5117 H 1 noname 0.0651 44 H6 38.8290 -20.0992 2.4365 H 1 noname 0.0649 45 H7 39.9720 -19.8282 6.5086 H 1 noname 0.0629 46 H8 31.6438 -19.0321 0.0916 H 1 noname 0.0846 47 H9 42.7821 -17.3761 6.6408 H 1 noname 0.0535 48 H10 42.2401 -16.0481 5.5987 H 1 noname 0.0535 49 H11 41.4221 -16.3591 7.1538 H 1 noname 0.0535 50 H12 40.5670 -22.1702 6.5027 H 1 noname 0.0630 51 H13 34.6689 -22.3091 1.6817 H 1 noname 0.0863 52 H14 31.7108 -21.1001 -0.9653 H 1 noname 0.0816 53 H15 39.1419 -22.6812 1.4806 H 1 noname 0.1754 54 H16 40.6200 -24.5102 4.7627 H 1 noname 0.0863 55 H17 31.1997 -23.2521 -2.0543 H 1 noname 0.0527 56 H18 33.4247 -23.6980 -2.9963 H 1 noname 0.0299 57 H19 33.6787 -25.0200 -1.8373 H 1 noname 0.0299 58 H20 31.8177 -25.4880 -0.0702 H 1 noname 0.0299 59 H21 30.3616 -24.4700 -0.0942 H 1 noname 0.0299 60 H22 32.9526 -25.9240 -4.0043 H 1 noname 0.0428 61 H23 31.5026 -24.9010 -3.9802 H 1 noname 0.0428 62 H24 29.7626 -25.3410 -2.3291 H 1 noname 0.0428 63 H25 29.9716 -26.6770 -1.1811 H 1 noname 0.0428 64 H26 31.0255 -27.0810 -3.2612 H 1 noname 0.1222 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 7 1 8 5 8 2 9 5 9 1 10 6 10 1 11 6 11 1 12 7 12 2 13 8 13 1 14 8 14 1 15 9 15 2 16 9 39 1 17 10 16 1 18 10 17 2 19 11 18 2 20 11 19 1 21 12 17 1 22 12 40 1 23 13 20 2 24 14 41 1 25 14 42 1 26 15 21 1 27 15 20 1 28 16 22 1 29 17 43 1 30 18 23 1 31 18 44 1 32 19 24 2 33 19 45 1 34 20 46 1 35 21 25 1 36 21 26 2 37 22 47 1 38 22 48 1 39 22 49 1 40 23 27 1 41 23 28 2 42 24 28 1 43 24 50 1 44 25 29 2 45 25 51 1 46 26 30 1 47 26 52 1 48 27 31 1 49 27 53 1 50 28 32 1 51 29 30 1 52 30 33 1 53 31 32 2 54 32 54 1 55 33 34 1 56 33 35 1 57 33 55 1 58 34 36 1 59 34 56 1 60 34 57 1 61 35 37 1 62 35 58 1 63 35 59 1 64 36 38 1 65 36 60 1 66 36 61 1 67 37 38 1 68 37 62 1 69 37 63 1 70 38 64 1 @SUBSTRUCTURE 1 noname 1