REMARK Name = LIG000563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.745 3.282 -2.117 0.00 0.00 -0.211 N ATOM 2 C LIG 1 -1.918 3.716 -1.525 0.00 0.00 +0.109 A ATOM 3 C LIG 1 -2.031 5.024 -1.962 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -3.038 5.929 -1.438 0.00 0.00 +0.279 A ATOM 5 N LIG 1 -3.873 5.371 -0.478 0.00 0.00 -0.320 N ATOM 6 H LIG 1 -4.582 5.994 -0.115 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 -3.861 4.007 -0.096 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -4.838 3.547 0.782 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -4.904 2.186 1.091 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -4.019 1.264 0.506 0.00 0.00 -0.016 A ATOM 11 C LIG 1 -3.036 1.749 -0.379 0.00 0.00 +0.020 A ATOM 12 O LIG 1 -3.162 7.101 -1.777 0.00 0.00 -0.265 OA ATOM 13 N LIG 1 -1.107 5.278 -2.925 0.00 0.00 -0.124 NA ATOM 14 C LIG 1 -2.908 3.116 -0.641 0.00 0.00 +0.027 A ATOM 15 N LIG 1 -0.388 4.173 -3.085 0.00 0.00 -0.059 NA ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 1.919 0.069 -1.245 0.00 0.00 +0.042 A ATOM 17 C LIG 1 1.872 0.639 -2.535 0.00 0.00 +0.078 A ATOM 18 C LIG 1 0.990 1.713 -2.798 0.00 0.00 +0.042 A ATOM 19 C LIG 1 0.121 2.200 -1.813 0.00 0.00 +0.068 A ATOM 20 C LIG 1 0.180 1.653 -0.535 0.00 0.00 +0.030 A ATOM 21 C LIG 1 1.060 0.599 -0.265 0.00 0.00 +0.026 A BRANCH 16 26 ATOM 22 C LIG 1 5.563 -3.463 1.229 0.00 0.00 +0.239 C ATOM 23 N LIG 1 4.673 -2.588 0.640 0.00 0.00 -0.295 N ATOM 24 C LIG 1 3.436 -3.138 0.077 0.00 0.00 +0.127 C ATOM 25 C LIG 1 2.341 -2.068 -0.061 0.00 0.00 +0.124 C ATOM 26 N LIG 1 2.792 -0.971 -0.940 0.00 0.00 -0.326 N ATOM 27 C LIG 1 4.236 -0.641 -0.890 0.00 0.00 +0.124 C ATOM 28 C LIG 1 4.918 -1.159 0.392 0.00 0.00 +0.127 C ATOM 29 O LIG 1 5.417 -4.683 1.225 0.00 0.00 -0.271 OA BRANCH 22 31 ATOM 30 C LIG 1 6.699 -2.027 2.888 0.00 0.00 +0.013 C ATOM 31 C LIG 1 6.772 -2.902 1.877 0.00 0.00 +0.060 C ENDBRANCH 22 31 ENDBRANCH 16 26 BRANCH 17 32 ATOM 32 C LIG 1 2.731 0.123 -3.669 0.00 0.00 +0.419 C ATOM 33 F LIG 1 2.339 0.596 -4.891 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.039 0.493 -3.550 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.728 -1.233 -3.803 0.00 0.00 -0.166 F ENDBRANCH 17 32 ENDBRANCH 1 19 BRANCH 10 36 ATOM 36 C LIG 1 -4.113 -0.172 0.806 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.112 -0.652 2.118 0.00 0.00 +0.123 A ATOM 38 N LIG 1 -4.185 -1.959 2.467 0.00 0.00 -0.221 NA ATOM 39 C LIG 1 -4.266 -2.849 1.458 0.00 0.00 +0.214 A ATOM 40 C LIG 1 -4.276 -2.490 0.121 0.00 0.00 +0.068 A ATOM 41 C LIG 1 -4.198 -1.136 -0.205 0.00 0.00 +0.015 A BRANCH 39 42 ATOM 42 O LIG 1 -4.343 -4.200 1.728 0.00 0.00 -0.480 OA ATOM 43 C LIG 1 -4.340 -4.492 3.122 0.00 0.00 +0.279 C ENDBRANCH 39 42 ENDBRANCH 10 36 TORSDOF 6