REMARK Name = LIG001262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.256 -2.032 -1.241 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.222 -0.922 -1.125 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -1.452 -0.319 0.098 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -0.665 -0.510 1.030 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -2.060 -0.858 -2.318 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.088 -2.301 -2.806 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.679 -2.796 -2.511 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.632 -0.647 -0.431 0.00 0.00 -0.306 N ATOM 9 H LIG 1 0.997 -0.514 0.360 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.236 -1.619 -1.325 0.00 0.00 +0.234 C ATOM 11 O LIG 1 2.037 -2.203 -2.053 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 3.049 -0.370 -0.182 0.00 0.00 +0.112 C BRANCH 12 13 ATOM 13 C LIG 1 3.173 0.478 1.081 0.00 0.00 -0.027 A ATOM 14 C LIG 1 3.946 0.019 2.161 0.00 0.00 +0.008 A ATOM 15 C LIG 1 4.068 0.783 3.323 0.00 0.00 +0.038 A ATOM 16 C LIG 1 3.418 2.007 3.410 0.00 0.00 +0.123 A ATOM 17 F LIG 1 3.536 2.740 4.525 0.00 0.00 -0.205 F ATOM 18 C LIG 1 2.650 2.485 2.356 0.00 0.00 +0.038 A ATOM 19 C LIG 1 2.528 1.724 1.193 0.00 0.00 +0.008 A ENDBRANCH 12 13 BRANCH 12 20 ATOM 20 C LIG 1 3.726 0.314 -1.381 0.00 0.00 +0.122 C BRANCH 20 24 ATOM 21 C LIG 1 7.290 1.244 -2.229 0.00 0.00 +0.128 C ATOM 22 N LIG 1 5.857 1.089 -2.214 0.00 0.00 -0.318 N ATOM 23 H LIG 1 5.297 1.734 -2.754 0.00 0.00 +0.148 HD ATOM 24 C LIG 1 5.239 0.286 -1.275 0.00 0.00 +0.215 C ATOM 25 O LIG 1 5.859 -0.399 -0.469 0.00 0.00 -0.276 OA ENDBRANCH 20 24 ENDBRANCH 12 20 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 -3.052 -3.061 -2.080 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -2.919 -2.915 -1.124 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -2.709 0.560 0.269 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 C LIG 1 -3.862 -0.376 0.465 0.00 0.00 +0.150 A ATOM 30 O LIG 1 -3.697 -1.381 1.368 0.00 0.00 -0.359 OA ATOM 31 N LIG 1 -4.825 -2.177 1.384 0.00 0.00 -0.083 NA ATOM 32 C LIG 1 -5.675 -1.626 0.510 0.00 0.00 +0.081 A ATOM 33 C LIG 1 -7.004 -2.234 0.280 0.00 0.00 +0.069 C ATOM 34 C LIG 1 -5.114 -0.480 -0.095 0.00 0.00 +0.071 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.570 1.557 1.452 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -1.462 2.582 1.170 0.00 0.00 +0.008 C ATOM 37 C LIG 1 -3.871 2.323 1.733 0.00 0.00 +0.008 C ENDBRANCH 28 35 ENDBRANCH 3 28 TORSDOF 9