REMARK Name = BDB027205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.536 -0.701 -0.043 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.925 -1.233 1.038 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.577 -1.117 1.123 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.245 -0.491 0.185 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.408 0.082 -0.920 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.807 -0.037 -1.029 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.834 -1.163 -0.148 0.00 0.00 +0.155 A ATOM 8 C LIG 1 6.145 -1.022 1.058 0.00 0.00 +0.165 A ATOM 9 F LIG 1 6.816 -1.023 2.220 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.759 -0.876 1.092 0.00 0.00 +0.052 A ATOM 11 C LIG 1 4.003 -0.860 -0.091 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.705 -1.011 -1.302 0.00 0.00 +0.014 A ATOM 13 C LIG 1 6.101 -1.159 -1.333 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 8.920 -1.458 -1.258 0.00 0.00 +0.277 C ATOM 15 O LIG 1 8.191 -1.296 -0.049 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.629 -0.418 0.315 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.198 0.064 1.591 0.00 0.00 +0.126 C ATOM 18 C LIG 1 -3.212 -0.926 2.247 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -4.657 -0.584 1.840 0.00 0.00 +0.029 C ATOM 20 C LIG 1 -2.864 -2.381 1.885 0.00 0.00 +0.025 C ATOM 21 C LIG 1 -2.728 -2.634 0.381 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.402 -1.395 -0.448 0.00 0.00 +0.105 C BRANCH 18 23 ATOM 23 N LIG 1 -3.170 -0.796 3.720 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -2.246 -1.052 4.068 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.823 -1.455 4.146 0.00 0.00 +0.119 HD ENDBRANCH 18 23 ENDBRANCH 4 16 BRANCH 5 26 ATOM 26 C LIG 1 -0.342 0.840 -1.996 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 N LIG 1 -1.096 1.973 -1.490 0.00 0.00 -0.310 N ATOM 28 C LIG 1 -2.403 2.256 -1.783 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -2.673 3.427 -1.093 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -3.977 3.937 -1.204 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -4.864 3.282 -1.988 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -4.457 2.152 -2.606 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -1.551 3.879 -0.427 0.00 0.00 -0.231 NA ATOM 34 N LIG 1 -3.246 1.561 -2.567 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 -0.624 2.979 -0.688 0.00 0.00 +0.202 A BRANCH 30 36 ATOM 36 N LIG 1 -4.396 5.099 -0.568 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -3.630 5.701 -0.289 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -5.189 5.523 -1.028 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7