REMARK Name = LIG000367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.376 -2.775 -1.182 0.00 0.00 +0.088 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.468 -2.372 -0.285 0.00 0.00 -0.301 NA ATOM 3 C LIG 1 -1.122 -1.501 0.874 0.00 0.00 +0.092 C ATOM 4 C LIG 1 -2.347 -0.694 0.537 0.00 0.00 -0.003 C ATOM 5 C LIG 1 -2.374 0.792 0.757 0.00 0.00 +0.013 C ATOM 6 C LIG 1 -3.866 0.638 1.181 0.00 0.00 -0.008 C ATOM 7 C LIG 1 -3.620 -0.899 1.320 0.00 0.00 +0.013 C ATOM 8 C LIG 1 -2.246 -1.235 -0.868 0.00 0.00 +0.092 C BRANCH 6 9 ATOM 9 C LIG 1 -4.889 1.066 0.127 0.00 0.00 +0.022 C BRANCH 9 10 ATOM 10 C LIG 1 -6.309 0.883 0.664 0.00 0.00 +0.102 C BRANCH 10 11 ATOM 11 N LIG 1 -7.294 1.097 -0.401 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -7.932 0.291 -0.446 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -8.042 2.280 -0.303 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -9.415 2.280 -0.100 0.00 0.00 +0.070 A ATOM 15 C LIG 1 -10.348 1.167 0.080 0.00 0.00 +0.256 C ATOM 16 N LIG 1 -11.581 1.714 0.307 0.00 0.00 -0.222 N ATOM 17 C LIG 1 -11.545 3.078 0.229 0.00 0.00 +0.255 C ATOM 18 O LIG 1 -12.457 3.874 0.348 0.00 0.00 -0.270 OA ATOM 19 O LIG 1 -10.031 -0.007 0.028 0.00 0.00 -0.269 OA ATOM 20 C LIG 1 -10.152 3.449 -0.006 0.00 0.00 +0.051 A ATOM 21 C LIG 1 -9.572 4.698 -0.109 0.00 0.00 +0.014 A ATOM 22 C LIG 1 -8.192 4.738 -0.312 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -7.441 3.545 -0.404 0.00 0.00 +0.024 A BRANCH 16 24 ATOM 24 C LIG 1 -12.817 0.960 0.449 0.00 0.00 +0.171 C ATOM 25 C LIG 1 -13.233 0.396 -0.914 0.00 0.00 +0.240 C ATOM 26 O LIG 1 -12.887 0.881 -1.989 0.00 0.00 -0.273 OA ATOM 27 N LIG 1 -14.101 -0.674 -0.878 0.00 0.00 -0.255 N ATOM 28 H LIG 1 -14.382 -1.044 -1.777 0.00 0.00 +0.158 HD ATOM 29 C LIG 1 -14.523 -1.381 0.221 0.00 0.00 +0.219 C ATOM 30 O LIG 1 -15.249 -2.364 0.106 0.00 0.00 -0.275 OA ATOM 31 C LIG 1 -14.098 -0.847 1.570 0.00 0.00 +0.098 C ATOM 32 C LIG 1 -12.745 -0.159 1.485 0.00 0.00 +0.041 C ENDBRANCH 16 24 ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 1 2 BRANCH 1 36 ATOM 33 C LIG 1 4.027 -2.631 -0.878 0.00 0.00 +0.039 C ATOM 34 C LIG 1 3.337 -2.025 -2.108 0.00 0.00 +0.010 C ATOM 35 C LIG 1 1.901 -2.527 -2.256 0.00 0.00 +0.005 C ATOM 36 C LIG 1 1.066 -2.247 -0.990 0.00 0.00 +0.003 C ATOM 37 C LIG 1 1.759 -2.896 0.223 0.00 0.00 +0.005 C ATOM 38 C LIG 1 3.192 -2.392 0.389 0.00 0.00 +0.010 C BRANCH 33 45 ATOM 39 C LIG 1 9.888 -1.681 -0.362 0.00 0.00 +0.146 A ATOM 40 C LIG 1 9.495 -0.286 -0.059 0.00 0.00 +0.093 A ATOM 41 C LIG 1 8.188 0.032 -0.074 0.00 0.00 +0.119 A ATOM 42 N LIG 1 7.249 -0.950 -0.362 0.00 0.00 -0.304 N ATOM 43 C LIG 1 7.572 -2.268 -0.642 0.00 0.00 +0.141 A ATOM 44 N LIG 1 6.496 -2.993 -0.861 0.00 0.00 -0.232 NA ATOM 45 C LIG 1 5.431 -2.130 -0.719 0.00 0.00 +0.063 A ATOM 46 C LIG 1 5.882 -0.859 -0.422 0.00 0.00 +0.116 A ATOM 47 C LIG 1 8.951 -2.617 -0.640 0.00 0.00 +0.094 A BRANCH 40 48 ATOM 48 N LIG 1 10.516 0.590 0.228 0.00 0.00 -0.276 N ATOM 49 H LIG 1 11.455 0.189 0.207 0.00 0.00 +0.155 HD ATOM 50 C LIG 1 10.457 1.932 0.550 0.00 0.00 +0.267 C ATOM 51 O LIG 1 9.445 2.619 0.632 0.00 0.00 -0.268 OA BRANCH 50 52 ATOM 52 C LIG 1 11.805 2.537 0.813 0.00 0.00 +0.126 A ATOM 53 N LIG 1 12.872 1.692 0.727 0.00 0.00 -0.238 NA ATOM 54 C LIG 1 14.110 2.215 0.969 0.00 0.00 +0.144 A ATOM 55 C LIG 1 14.290 3.565 1.286 0.00 0.00 +0.032 A ATOM 56 C LIG 1 13.180 4.404 1.363 0.00 0.00 +0.004 A ATOM 57 C LIG 1 11.913 3.885 1.125 0.00 0.00 +0.033 A BRANCH 54 58 ATOM 58 C LIG 1 15.337 1.313 0.899 0.00 0.00 +0.434 C ATOM 59 F LIG 1 16.043 1.308 2.067 0.00 0.00 -0.164 F ATOM 60 F LIG 1 15.055 0.008 0.628 0.00 0.00 -0.164 F ATOM 61 F LIG 1 16.221 1.712 -0.061 0.00 0.00 -0.164 F ENDBRANCH 54 58 ENDBRANCH 50 52 ENDBRANCH 40 48 BRANCH 39 63 ATOM 62 C LIG 1 11.740 -3.189 -0.593 0.00 0.00 +0.277 C ATOM 63 O LIG 1 11.255 -1.879 -0.322 0.00 0.00 -0.493 OA ENDBRANCH 39 63 ENDBRANCH 33 45 ENDBRANCH 1 36 TORSDOF 12