REMARK Name = BDB043037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.149 -2.989 -1.629 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.322 -1.825 -0.904 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.955 -1.290 -0.675 0.00 0.00 -0.200 N ATOM 4 C LIG 1 1.112 -0.075 0.050 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.006 0.523 0.503 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.337 -0.110 0.223 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.918 -2.096 -1.217 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.460 -1.225 -0.450 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 1.246 -3.093 -1.786 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.083 -5.310 -1.500 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.214 -3.920 -2.125 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.214 -4.015 -3.652 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.464 0.526 0.702 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.315 1.184 1.460 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.762 -0.132 0.725 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -4.879 0.875 1.038 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -6.231 0.158 1.203 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -7.368 1.180 1.383 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -7.432 2.167 0.302 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -7.627 1.690 -0.579 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -6.166 2.891 0.190 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -4.991 1.948 -0.061 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -6.197 -0.692 2.349 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -5.907 -1.576 2.061 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.372 0.493 0.288 0.00 0.00 -0.323 N ATOM 26 H LIG 1 2.383 1.140 1.073 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.658 -0.184 0.135 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 4.827 0.661 0.565 0.00 0.00 +0.089 A ATOM 29 C LIG 1 5.627 1.506 -0.187 0.00 0.00 +0.151 A ATOM 30 N LIG 1 6.520 2.062 0.701 0.00 0.00 -0.296 N ATOM 31 C LIG 1 6.205 1.545 1.956 0.00 0.00 +0.138 A ATOM 32 C LIG 1 6.992 1.976 3.061 0.00 0.00 +0.047 A ATOM 33 C LIG 1 7.997 2.851 2.866 0.00 0.00 +0.005 A ATOM 34 C LIG 1 8.302 3.374 1.544 0.00 0.00 +0.018 A ATOM 35 C LIG 1 7.562 2.971 0.497 0.00 0.00 +0.093 A ATOM 36 N LIG 1 5.186 0.717 1.896 0.00 0.00 -0.231 NA BRANCH 29 37 ATOM 37 C LIG 1 5.624 1.841 -1.614 0.00 0.00 +0.435 C ATOM 38 F LIG 1 6.812 1.535 -2.197 0.00 0.00 -0.164 F ATOM 39 F LIG 1 5.427 3.169 -1.814 0.00 0.00 -0.164 F ATOM 40 F LIG 1 4.668 1.192 -2.318 0.00 0.00 -0.164 F ENDBRANCH 29 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 9