REMARK Name = LIG000494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.972 2.529 2.192 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.153 1.598 1.160 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.954 1.861 0.031 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.047 0.884 -1.078 0.00 0.00 +0.085 A ATOM 5 N LIG 1 -1.322 -0.305 -0.941 0.00 0.00 -0.332 N ATOM 6 H LIG 1 -0.567 -0.319 -1.647 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -2.025 -1.603 -1.010 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -2.559 -1.951 -2.418 0.00 0.00 +0.300 C ATOM 9 F LIG 1 -1.527 -2.165 -3.282 0.00 0.00 -0.200 F ATOM 10 F LIG 1 -3.246 -3.131 -2.358 0.00 0.00 -0.200 F ATOM 11 C LIG 1 -3.493 -0.891 -2.992 0.00 0.00 +0.306 C ATOM 12 O LIG 1 -2.846 0.355 -3.268 0.00 0.00 -0.479 OA ATOM 13 C LIG 1 -2.787 1.191 -2.160 0.00 0.00 +0.207 A ATOM 14 C LIG 1 -3.541 2.485 -2.253 0.00 0.00 +0.295 A ATOM 15 N LIG 1 -3.441 3.369 -1.186 0.00 0.00 -0.308 N ATOM 16 C LIG 1 -4.164 4.628 -1.269 0.00 0.00 +0.152 C ATOM 17 O LIG 1 -4.233 2.704 -3.249 0.00 0.00 -0.264 OA ATOM 18 C LIG 1 -2.644 3.080 -0.040 0.00 0.00 +0.054 A ATOM 19 C LIG 1 -2.526 3.988 1.025 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.705 3.713 2.126 0.00 0.00 +0.025 A ENDROOT BRANCH 7 21 ATOM 21 C LIG 1 -1.060 -2.657 -0.509 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -1.552 -3.845 0.282 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -0.752 -2.772 0.966 0.00 0.00 +0.006 C ENDBRANCH 7 21 BRANCH 1 24 ATOM 24 N LIG 1 -0.116 2.289 3.291 0.00 0.00 -0.298 N ATOM 25 H LIG 1 -0.053 3.079 3.925 0.00 0.00 +0.154 HD BRANCH 24 28 ATOM 26 C LIG 1 2.712 0.390 2.044 0.00 0.00 +0.220 A ATOM 27 N LIG 1 1.594 1.129 2.095 0.00 0.00 -0.198 NA ATOM 28 C LIG 1 1.120 1.588 3.268 0.00 0.00 +0.147 A ATOM 29 C LIG 1 1.804 1.338 4.444 0.00 0.00 +0.099 A ATOM 30 CL LIG 1 1.286 1.908 5.979 0.00 0.00 -0.078 Cl ATOM 31 C LIG 1 2.958 0.600 4.319 0.00 0.00 +0.137 A ATOM 32 N LIG 1 3.423 0.115 3.147 0.00 0.00 -0.221 NA BRANCH 26 36 ATOM 33 C LIG 1 5.129 -3.133 -0.379 0.00 0.00 +0.009 C ATOM 34 C LIG 1 4.382 -1.804 -0.480 0.00 0.00 +0.006 C ATOM 35 C LIG 1 3.890 -1.353 0.906 0.00 0.00 +0.111 C ATOM 36 N LIG 1 3.129 -0.106 0.795 0.00 0.00 -0.297 N ATOM 37 C LIG 1 2.020 -0.114 -0.172 0.00 0.00 +0.139 C ATOM 38 C LIG 1 2.459 -0.593 -1.560 0.00 0.00 +0.132 C ATOM 39 C LIG 1 3.212 -1.918 -1.464 0.00 0.00 +0.037 C BRANCH 38 40 ATOM 40 O LIG 1 1.306 -0.759 -2.393 0.00 0.00 -0.390 OA ATOM 41 H LIG 1 1.626 -1.010 -3.279 0.00 0.00 +0.210 HD ENDBRANCH 38 40 ENDBRANCH 26 36 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 5