REMARK Name = LIG000943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.222 -0.088 1.607 0.00 0.00 +0.139 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 -4.576 -1.033 0.058 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -4.479 -0.325 1.248 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -5.373 0.111 1.946 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.048 -0.169 1.533 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -2.333 -0.698 0.462 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -0.950 -0.675 0.466 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -0.285 -0.120 1.577 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -1.035 0.408 2.654 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -2.433 0.390 2.636 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.276 -1.210 -0.574 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 -9.653 -0.637 -2.066 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -8.540 -0.776 -1.567 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -7.543 0.137 -1.800 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.795 0.934 -2.367 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.213 0.042 -1.463 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -5.409 0.882 -1.865 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -5.811 -1.225 -0.694 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -6.983 -1.722 0.151 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.174 -1.995 -0.753 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 1.759 -1.434 1.632 0.00 0.00 -0.311 N ATOM 22 H LIG 1 1.341 -2.055 2.317 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 2.939 -1.935 1.185 0.00 0.00 +0.220 C ATOM 24 O LIG 1 3.270 -3.045 1.610 0.00 0.00 -0.275 OA BRANCH 23 25 ATOM 25 C LIG 1 3.819 -1.213 0.184 0.00 0.00 +0.117 C ATOM 26 C LIG 1 4.455 0.058 0.723 0.00 0.00 +0.055 C ATOM 27 C LIG 1 5.105 0.839 -0.386 0.00 0.00 -0.001 A ATOM 28 C LIG 1 4.829 0.555 -1.727 0.00 0.00 +0.124 A ATOM 29 C LIG 1 5.446 1.288 -2.737 0.00 0.00 +0.049 A ATOM 30 C LIG 1 6.330 2.319 -2.413 0.00 0.00 +0.049 A ATOM 31 C LIG 1 6.616 2.619 -1.080 0.00 0.00 +0.130 A ATOM 32 O LIG 1 4.001 -0.453 -2.139 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 5.994 1.883 -0.069 0.00 0.00 +0.053 A ATOM 34 C LIG 1 3.111 -0.951 -1.135 0.00 0.00 +0.242 C BRANCH 31 35 ATOM 35 O LIG 1 7.495 3.649 -0.908 0.00 0.00 -0.406 OA BRANCH 35 36 ATOM 36 C LIG 1 8.111 3.777 0.363 0.00 0.00 +0.575 C ATOM 37 F LIG 1 9.055 4.740 0.292 0.00 0.00 -0.133 F ATOM 38 F LIG 1 8.714 2.625 0.734 0.00 0.00 -0.133 F ATOM 39 F LIG 1 7.214 4.140 1.307 0.00 0.00 -0.133 F ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 23 25 ENDBRANCH 1 21 TORSDOF 6