REMARK Name = LIG001886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.772 -0.696 1.039 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -2.120 -0.318 0.939 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.842 -0.388 -0.274 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -4.283 -0.014 -0.338 0.00 0.00 +0.085 A ATOM 5 N LIG 1 -4.955 0.097 0.891 0.00 0.00 -0.332 N ATOM 6 H LIG 1 -4.582 -0.559 1.575 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -6.421 0.192 1.046 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -7.008 1.459 0.386 0.00 0.00 +0.300 C ATOM 9 F LIG 1 -8.371 1.374 0.360 0.00 0.00 -0.200 F ATOM 10 F LIG 1 -6.739 2.541 1.177 0.00 0.00 -0.200 F ATOM 11 C LIG 1 -6.487 1.747 -1.014 0.00 0.00 +0.306 C ATOM 12 O LIG 1 -6.163 0.564 -1.751 0.00 0.00 -0.479 OA ATOM 13 C LIG 1 -4.848 0.148 -1.558 0.00 0.00 +0.207 A ATOM 14 C LIG 1 -4.104 -0.205 -2.815 0.00 0.00 +0.295 A ATOM 15 N LIG 1 -2.834 -0.751 -2.687 0.00 0.00 -0.308 N ATOM 16 C LIG 1 -2.138 -1.157 -3.900 0.00 0.00 +0.152 C ATOM 17 O LIG 1 -4.647 -0.019 -3.906 0.00 0.00 -0.264 OA ATOM 18 C LIG 1 -2.169 -0.806 -1.431 0.00 0.00 +0.054 A ATOM 19 C LIG 1 -0.838 -1.239 -1.326 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.160 -1.202 -0.103 0.00 0.00 +0.025 A ENDROOT BRANCH 7 21 ATOM 21 C LIG 1 -7.114 -1.101 0.634 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -7.325 -2.183 1.673 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -6.422 -2.446 0.508 0.00 0.00 +0.006 C ENDBRANCH 7 21 BRANCH 1 24 ATOM 24 N LIG 1 -0.137 -0.637 2.295 0.00 0.00 -0.298 N ATOM 25 H LIG 1 -0.684 -0.141 2.993 0.00 0.00 +0.154 HD BRANCH 24 28 ATOM 26 C LIG 1 3.468 -0.279 1.965 0.00 0.00 +0.220 A ATOM 27 N LIG 1 2.164 -0.356 1.642 0.00 0.00 -0.198 NA ATOM 28 C LIG 1 1.245 -0.533 2.616 0.00 0.00 +0.147 A ATOM 29 C LIG 1 1.629 -0.645 3.945 0.00 0.00 +0.099 A ATOM 30 CL LIG 1 0.512 -0.853 5.237 0.00 0.00 -0.078 Cl ATOM 31 C LIG 1 2.975 -0.561 4.193 0.00 0.00 +0.137 A ATOM 32 N LIG 1 3.899 -0.378 3.231 0.00 0.00 -0.221 NA BRANCH 26 35 ATOM 33 C LIG 1 6.595 0.728 0.227 0.00 0.00 +0.090 C ATOM 34 C LIG 1 5.815 -0.037 1.313 0.00 0.00 +0.130 C ATOM 35 N LIG 1 4.392 -0.055 0.967 0.00 0.00 -0.298 N ATOM 36 C LIG 1 3.995 -0.255 -0.425 0.00 0.00 +0.111 C ATOM 37 C LIG 1 5.162 -0.811 -1.256 0.00 0.00 +0.005 C ATOM 38 C LIG 1 4.754 -0.997 -2.716 0.00 0.00 +0.009 C ATOM 39 C LIG 1 6.428 0.059 -1.149 0.00 0.00 +0.028 C BRANCH 33 42 ATOM 40 C LIG 1 6.222 4.472 -0.385 0.00 0.00 +0.109 C ATOM 41 C LIG 1 6.902 3.130 -0.348 0.00 0.00 +0.210 C ATOM 42 N LIG 1 6.136 2.120 0.178 0.00 0.00 -0.311 N ATOM 43 H LIG 1 5.159 2.280 0.393 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 8.046 2.966 -0.759 0.00 0.00 -0.276 OA ENDBRANCH 33 42 ENDBRANCH 26 35 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 5