REMARK Name = LIG001131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.584 -0.943 -1.025 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -0.029 -1.308 -2.262 0.00 0.00 +0.012 A ATOM 3 C LIG 1 1.295 -0.988 -2.590 0.00 0.00 +0.046 A ATOM 4 C LIG 1 2.092 -0.294 -1.681 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.555 0.070 -0.446 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.233 -0.249 -0.120 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 7 N LIG 1 -6.439 -0.698 0.489 0.00 0.00 -0.282 N ATOM 8 C LIG 1 -6.018 -2.002 0.290 0.00 0.00 +0.248 C ATOM 9 O LIG 1 -6.655 -3.030 0.404 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.600 -1.940 -0.078 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.193 -0.611 -0.013 0.00 0.00 -0.017 A ATOM 12 C LIG 1 -2.886 -0.265 -0.314 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -1.977 -1.276 -0.690 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -2.426 -2.621 -0.741 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -3.746 -2.964 -0.432 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -5.333 0.248 0.418 0.00 0.00 +0.144 C BRANCH 7 21 ATOM 17 C LIG 1 -9.157 -1.321 4.430 0.00 0.00 +0.141 C ATOM 18 N LIG 1 -8.990 -1.217 2.993 0.00 0.00 -0.244 N ATOM 19 C LIG 1 -7.822 -0.620 2.531 0.00 0.00 +0.242 C ATOM 20 O LIG 1 -6.894 -0.310 3.285 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -7.739 -0.304 1.030 0.00 0.00 +0.164 C ATOM 22 C LIG 1 -8.937 -0.761 0.208 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -9.579 -2.022 0.736 0.00 0.00 +0.099 C ATOM 24 C LIG 1 -9.894 -1.923 2.206 0.00 0.00 +0.222 C ATOM 25 O LIG 1 -10.878 -2.504 2.667 0.00 0.00 -0.275 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 O LIG 1 3.393 0.082 -1.873 0.00 0.00 -0.483 OA BRANCH 26 27 ATOM 27 C LIG 1 3.970 -0.218 -3.143 0.00 0.00 +0.326 C BRANCH 27 28 ATOM 28 C LIG 1 5.405 0.298 -3.240 0.00 0.00 +0.270 C ATOM 29 N LIG 1 5.854 0.872 -2.061 0.00 0.00 -0.204 N ATOM 30 H LIG 1 5.213 0.918 -1.273 0.00 0.00 +0.177 HD ATOM 31 O LIG 1 6.053 0.191 -4.279 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 N LIG 1 7.112 1.380 -1.968 0.00 0.00 -0.188 NA ATOM 33 C LIG 1 7.403 1.924 -0.833 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 8.722 2.541 -0.602 0.00 0.00 +0.032 A ATOM 35 C LIG 1 9.920 1.832 -0.820 0.00 0.00 +0.063 A ATOM 36 CL LIG 1 9.886 0.148 -1.236 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 11.160 2.470 -0.626 0.00 0.00 +0.074 A ATOM 38 C LIG 1 11.176 3.809 -0.191 0.00 0.00 +0.015 A ATOM 39 C LIG 1 9.989 4.499 0.047 0.00 0.00 +0.021 A ATOM 40 C LIG 1 8.762 3.869 -0.156 0.00 0.00 +0.051 A ATOM 41 CL LIG 1 7.332 4.796 0.143 0.00 0.00 -0.083 Cl BRANCH 37 42 ATOM 42 C LIG 1 12.469 1.749 -0.850 0.00 0.00 +0.419 C ATOM 43 F LIG 1 12.657 0.717 0.018 0.00 0.00 -0.166 F ATOM 44 F LIG 1 13.553 2.562 -0.681 0.00 0.00 -0.166 F ATOM 45 F LIG 1 12.597 1.237 -2.103 0.00 0.00 -0.166 F ENDBRANCH 37 42 ENDBRANCH 33 34 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8