REMARK Name = LIG000283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.413 -1.688 1.634 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.195 -1.085 0.972 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.943 -1.872 0.746 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.085 -1.321 0.159 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.118 0.033 -0.201 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -0.984 0.822 0.036 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.156 0.271 0.625 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.350 0.629 -0.850 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -3.885 1.799 -0.133 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -4.972 2.443 -0.911 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -6.298 1.643 -0.983 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -6.750 1.279 0.373 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -5.723 0.617 1.203 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.420 1.453 1.207 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -8.025 0.693 0.433 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -8.397 -0.578 -0.059 0.00 0.00 +0.063 A ATOM 17 CL LIG 1 -7.286 -1.649 -0.846 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -9.713 -1.040 0.069 0.00 0.00 +0.041 A ATOM 19 C LIG 1 -10.673 -0.245 0.688 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -12.287 -0.817 0.843 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -10.335 1.009 1.182 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -9.022 1.468 1.053 0.00 0.00 +0.026 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 2.640 -1.119 1.172 0.00 0.00 -0.487 OA BRANCH 23 32 ATOM 24 N LIG 1 6.563 -0.203 -0.278 0.00 0.00 -0.222 N ATOM 25 C LIG 1 5.422 -0.296 0.477 0.00 0.00 +0.258 C ATOM 26 O LIG 1 5.195 0.254 1.538 0.00 0.00 -0.269 OA ATOM 27 C LIG 1 4.510 -1.194 -0.242 0.00 0.00 +0.091 A ATOM 28 C LIG 1 5.181 -1.629 -1.373 0.00 0.00 +0.053 A ATOM 29 C LIG 1 4.619 -2.503 -2.280 0.00 0.00 +0.014 A ATOM 30 C LIG 1 3.319 -2.936 -2.018 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.627 -2.494 -0.869 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.222 -1.615 0.046 0.00 0.00 +0.134 A ATOM 33 C LIG 1 6.505 -1.013 -1.376 0.00 0.00 +0.255 C ATOM 34 O LIG 1 7.358 -1.236 -2.214 0.00 0.00 -0.270 OA BRANCH 24 41 ATOM 35 O LIG 1 11.806 1.252 0.459 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 10.601 1.037 0.363 0.00 0.00 +0.219 C ATOM 37 N LIG 1 10.042 -0.102 0.887 0.00 0.00 -0.255 N ATOM 38 H LIG 1 10.689 -0.767 1.288 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 8.736 -0.527 0.779 0.00 0.00 +0.240 C ATOM 40 O LIG 1 8.407 -1.637 1.195 0.00 0.00 -0.273 OA ATOM 41 C LIG 1 7.756 0.490 0.184 0.00 0.00 +0.171 C ATOM 42 C LIG 1 8.452 1.324 -0.888 0.00 0.00 +0.041 C ATOM 43 C LIG 1 9.653 2.027 -0.273 0.00 0.00 +0.098 C ENDBRANCH 24 41 ENDBRANCH 23 32 ENDBRANCH 1 23 TORSDOF 7