REMARK Name = LIG001626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.091 2.305 0.384 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.403 3.076 -0.054 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.581 1.069 0.258 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.878 1.058 -0.288 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -2.542 -0.150 -0.375 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -3.818 -0.455 -0.874 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -4.053 -1.834 -0.702 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -2.885 -2.372 -0.131 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -2.702 -3.736 0.270 0.00 0.00 +0.154 C ATOM 10 O LIG 1 -5.091 -2.423 -0.969 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -1.967 -1.336 0.081 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -0.713 -1.362 0.647 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -0.028 -0.143 0.737 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 -4.763 0.487 -1.418 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -5.640 1.179 -0.367 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -6.867 0.397 0.156 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -7.834 -0.016 -0.959 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -7.616 1.274 1.168 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -6.455 -0.764 0.871 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -6.254 -1.472 0.223 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 21 C LIG 1 3.689 1.840 0.198 0.00 0.00 +0.220 A ATOM 22 N LIG 1 2.370 1.586 0.154 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 1.486 2.575 0.406 0.00 0.00 +0.147 A ATOM 24 C LIG 1 1.919 3.854 0.717 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 0.853 5.166 1.031 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 3.278 4.037 0.750 0.00 0.00 +0.137 A ATOM 27 N LIG 1 4.168 3.057 0.497 0.00 0.00 -0.221 NA BRANCH 21 36 ATOM 28 C LIG 1 8.248 0.083 0.657 0.00 0.00 +0.015 C ATOM 29 C LIG 1 6.899 -0.024 -0.053 0.00 0.00 +0.073 C ATOM 30 C LIG 1 6.320 -1.426 0.063 0.00 0.00 +0.257 C ATOM 31 F LIG 1 7.189 -2.315 -0.488 0.00 0.00 -0.205 F ATOM 32 F LIG 1 6.205 -1.768 1.374 0.00 0.00 -0.205 F ATOM 33 C LIG 1 4.969 -1.558 -0.621 0.00 0.00 +0.073 C ATOM 34 C LIG 1 4.404 -2.970 -0.474 0.00 0.00 +0.015 C ATOM 35 C LIG 1 4.005 -0.528 -0.036 0.00 0.00 +0.117 C ATOM 36 N LIG 1 4.593 0.813 -0.113 0.00 0.00 -0.299 N ATOM 37 C LIG 1 5.904 0.982 0.522 0.00 0.00 +0.117 C ENDBRANCH 21 36 ENDBRANCH 1 23 TORSDOF 7