REMARK Name = LIG000063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.120 1.876 1.597 0.00 0.00 -0.298 N ATOM 2 H LIG 1 0.477 1.910 2.418 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 2.680 0.670 -4.316 0.00 0.00 +0.154 C ATOM 4 N LIG 1 2.960 0.834 -2.919 0.00 0.00 -0.295 N ATOM 5 C LIG 1 2.003 1.044 -1.922 0.00 0.00 +0.070 A ATOM 6 C LIG 1 2.672 1.236 -0.715 0.00 0.00 +0.072 A ATOM 7 C LIG 1 1.988 1.514 0.453 0.00 0.00 +0.051 A ATOM 8 C LIG 1 0.581 1.559 0.413 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -0.074 1.372 -0.828 0.00 0.00 +0.025 A ATOM 10 N LIG 1 4.052 1.122 -0.961 0.00 0.00 -0.292 N ATOM 11 C LIG 1 0.631 1.107 -2.009 0.00 0.00 +0.030 A ATOM 12 C LIG 1 4.248 0.923 -2.349 0.00 0.00 +0.330 A ATOM 13 O LIG 1 5.312 0.856 -2.943 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 5.107 1.344 0.003 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 5.178 0.287 1.117 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 6.124 -0.902 0.857 0.00 0.00 +0.062 C ATOM 17 C LIG 1 5.804 -1.658 -0.430 0.00 0.00 +0.041 C ATOM 18 C LIG 1 6.068 -1.873 2.044 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 7.464 -0.415 0.753 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 7.745 -0.089 1.625 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -1.448 1.546 1.978 0.00 0.00 +0.147 A ATOM 22 C LIG 1 -1.976 2.108 3.132 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 -1.085 3.153 4.168 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 -3.272 1.770 3.428 0.00 0.00 +0.137 A ATOM 25 N LIG 1 -4.018 0.944 2.670 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 -3.451 0.433 1.567 0.00 0.00 +0.220 A ATOM 27 N LIG 1 -2.189 0.721 1.208 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 -4.185 -0.428 0.780 0.00 0.00 -0.299 N ATOM 29 C LIG 1 -5.630 -0.519 0.989 0.00 0.00 +0.119 C ATOM 30 C LIG 1 -6.317 -0.876 -0.326 0.00 0.00 +0.101 C ATOM 31 C LIG 1 -5.744 -2.177 -0.862 0.00 0.00 +0.257 C ATOM 32 F LIG 1 -6.054 -2.264 -2.186 0.00 0.00 -0.205 F ATOM 33 F LIG 1 -6.362 -3.238 -0.272 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -4.247 -2.353 -0.691 0.00 0.00 +0.095 C ATOM 35 C LIG 1 -3.567 -1.028 -0.392 0.00 0.00 +0.114 C BRANCH 30 36 ATOM 36 C LIG 1 -7.831 -0.980 -0.175 0.00 0.00 +0.166 C BRANCH 36 37 ATOM 37 O LIG 1 -8.385 0.284 0.175 0.00 0.00 -0.394 OA ATOM 38 H LIG 1 -8.369 0.847 -0.619 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 30 36 ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 9