REMARK Name = LIG000566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.930 0.364 -1.170 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -2.193 0.187 -0.588 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.577 -1.027 0.021 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.909 -1.172 0.643 0.00 0.00 +0.085 A ATOM 5 N LIG 1 -4.756 -0.056 0.620 0.00 0.00 -0.332 N ATOM 6 H LIG 1 -4.986 0.180 1.592 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -6.052 -0.160 -0.099 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -7.082 -1.070 0.614 0.00 0.00 +0.300 C ATOM 9 F LIG 1 -7.489 -0.509 1.787 0.00 0.00 -0.200 F ATOM 10 F LIG 1 -8.200 -1.188 -0.161 0.00 0.00 -0.200 F ATOM 11 C LIG 1 -6.564 -2.479 0.898 0.00 0.00 +0.306 C ATOM 12 O LIG 1 -5.478 -2.515 1.833 0.00 0.00 -0.479 OA ATOM 13 C LIG 1 -4.247 -2.344 1.211 0.00 0.00 +0.207 A ATOM 14 C LIG 1 -3.302 -3.507 1.237 0.00 0.00 +0.295 A ATOM 15 N LIG 1 -2.056 -3.332 0.648 0.00 0.00 -0.308 N ATOM 16 C LIG 1 -1.127 -4.452 0.666 0.00 0.00 +0.152 C ATOM 17 O LIG 1 -3.669 -4.565 1.751 0.00 0.00 -0.264 OA ATOM 18 C LIG 1 -1.677 -2.103 0.031 0.00 0.00 +0.054 A ATOM 19 C LIG 1 -0.426 -1.942 -0.579 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.066 -0.729 -1.179 0.00 0.00 +0.025 A ENDROOT BRANCH 7 21 ATOM 21 C LIG 1 -6.486 1.267 -0.375 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -6.867 2.220 0.736 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -7.905 1.776 -0.257 0.00 0.00 +0.006 C ENDBRANCH 7 21 BRANCH 1 24 ATOM 24 N LIG 1 -0.628 1.591 -1.793 0.00 0.00 -0.298 N ATOM 25 H LIG 1 -1.325 2.307 -1.615 0.00 0.00 +0.154 HD BRANCH 24 28 ATOM 26 C LIG 1 2.954 2.196 -1.782 0.00 0.00 +0.220 A ATOM 27 N LIG 1 1.758 1.633 -1.538 0.00 0.00 -0.198 NA ATOM 28 C LIG 1 0.635 2.193 -2.035 0.00 0.00 +0.147 A ATOM 29 C LIG 1 0.697 3.339 -2.813 0.00 0.00 +0.099 A ATOM 30 CL LIG 1 -0.690 4.115 -3.469 0.00 0.00 -0.078 Cl ATOM 31 C LIG 1 1.952 3.850 -3.031 0.00 0.00 +0.137 A ATOM 32 N LIG 1 3.077 3.304 -2.532 0.00 0.00 -0.221 NA BRANCH 26 36 ATOM 33 C LIG 1 6.654 2.307 0.925 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.470 1.817 -0.514 0.00 0.00 +0.005 C ATOM 35 C LIG 1 5.266 2.487 -1.204 0.00 0.00 +0.111 C ATOM 36 N LIG 1 4.104 1.594 -1.274 0.00 0.00 -0.298 N ATOM 37 C LIG 1 3.896 0.703 -0.132 0.00 0.00 +0.126 C ATOM 38 C LIG 1 5.090 -0.295 0.051 0.00 0.00 +0.074 C ATOM 39 C LIG 1 6.368 0.292 -0.606 0.00 0.00 +0.025 C BRANCH 38 40 ATOM 40 N LIG 1 5.266 -0.708 1.479 0.00 0.00 -0.304 NA ATOM 41 C LIG 1 4.020 -1.256 2.038 0.00 0.00 +0.104 C ATOM 42 C LIG 1 6.322 -1.714 1.644 0.00 0.00 +0.104 C ENDBRANCH 38 40 ENDBRANCH 26 36 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 5