REMARK Name = BDB006509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.482 -3.752 2.047 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.108 -3.062 0.781 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.959 -2.252 -0.032 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.206 -1.803 -1.120 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.762 -0.983 -2.117 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.105 -0.612 -2.001 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.877 -1.035 -0.918 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.071 -2.318 -0.969 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.316 -1.867 0.064 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.140 -3.089 0.176 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.388 -3.779 0.616 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -4.300 -0.599 -0.852 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.854 -0.518 0.409 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.217 -0.479 1.196 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.902 -0.300 -1.877 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.172 0.067 0.618 0.00 0.00 +0.106 C ATOM 17 C LIG 1 -6.830 -0.554 1.850 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.097 1.570 0.752 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -5.152 2.197 1.571 0.00 0.00 +0.166 A ATOM 20 F LIG 1 -4.279 1.455 2.272 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -5.104 3.585 1.681 0.00 0.00 +0.159 A ATOM 22 F LIG 1 -4.189 4.163 2.471 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -6.003 4.384 0.985 0.00 0.00 +0.044 A ATOM 24 C LIG 1 -6.964 3.779 0.176 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -7.005 2.387 0.070 0.00 0.00 +0.131 A ATOM 26 F LIG 1 -7.959 1.837 -0.693 0.00 0.00 -0.205 F ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.165 -2.117 -1.922 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.206 -1.139 -1.433 0.00 0.00 -0.028 A ATOM 29 C LIG 1 4.565 -1.478 -1.492 0.00 0.00 +0.006 A ATOM 30 C LIG 1 5.546 -0.574 -1.070 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.202 0.698 -0.587 0.00 0.00 -0.018 A ATOM 32 C LIG 1 3.841 1.036 -0.544 0.00 0.00 +0.009 A ATOM 33 C LIG 1 2.857 0.135 -0.965 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 6.236 1.647 -0.143 0.00 0.00 -0.018 A ATOM 35 C LIG 1 7.188 1.281 0.823 0.00 0.00 +0.008 A ATOM 36 C LIG 1 8.170 2.182 1.245 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.217 3.465 0.706 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.283 3.848 -0.253 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.301 2.947 -0.673 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 6