REMARK Name = BDB035643 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.072 1.960 -0.092 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.481 0.746 -0.655 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.110 -0.310 -0.795 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.860 0.936 -1.125 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.699 0.023 -1.736 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.989 0.445 -2.095 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.374 1.784 -1.842 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.508 2.702 -1.216 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.241 2.246 -0.863 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.115 2.972 -0.200 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.428 1.461 1.252 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.149 1.229 0.692 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.189 2.236 0.504 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.518 3.530 0.922 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.767 3.806 1.479 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.705 2.786 1.632 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -4.518 0.293 1.430 0.00 0.00 +0.065 C ATOM 18 C LIG 1 -5.163 0.168 2.853 0.00 0.00 +0.084 C ATOM 19 C LIG 1 -5.067 -1.366 2.742 0.00 0.00 +0.173 C ATOM 20 O LIG 1 -6.274 -2.052 2.329 0.00 0.00 -0.346 OA ATOM 21 C LIG 1 -6.393 -3.233 3.130 0.00 0.00 +0.191 C ATOM 22 C LIG 1 -5.647 -2.875 4.402 0.00 0.00 +0.191 C ATOM 23 O LIG 1 -4.584 -2.036 3.934 0.00 0.00 -0.346 OA ATOM 24 C LIG 1 -4.013 -1.171 1.636 0.00 0.00 +0.084 C BRANCH 17 27 ATOM 25 C LIG 1 -4.481 -0.628 -1.701 0.00 0.00 +0.151 C ATOM 26 N LIG 1 -5.550 0.046 -1.017 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -5.616 0.445 0.290 0.00 0.00 +0.144 A ATOM 28 N LIG 1 -6.762 1.069 0.483 0.00 0.00 -0.134 NA ATOM 29 N LIG 1 -7.461 1.058 -0.700 0.00 0.00 -0.138 NA ATOM 30 C LIG 1 -6.722 0.439 -1.589 0.00 0.00 +0.224 A ENDBRANCH 17 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.925 4.121 -0.938 0.00 0.00 +0.418 C ATOM 32 F LIG 1 3.836 4.435 0.384 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.137 5.023 -1.586 0.00 0.00 -0.166 F ATOM 34 F LIG 1 5.204 4.400 -1.308 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 4.944 -0.505 -2.788 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 5.017 -1.817 -2.140 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.015 -2.534 -2.866 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 6.137 -1.942 -1.182 0.00 0.00 +0.017 C ATOM 39 C LIG 1 6.178 -3.432 -0.726 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.172 -3.726 -1.866 0.00 0.00 +0.004 C ATOM 41 C LIG 1 7.463 -2.214 -1.946 0.00 0.00 +0.022 C ATOM 42 C LIG 1 6.145 -0.942 -0.046 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 7