REMARK Name = BDB017599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.810 -0.739 -2.020 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.564 0.413 -1.759 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.547 0.407 -0.765 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -2.824 -0.747 -0.019 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -3.885 -0.692 1.013 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -4.200 -1.847 1.721 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -4.224 -2.680 1.140 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -5.169 -1.839 2.809 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -6.265 -0.817 2.533 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -5.661 0.559 2.229 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -4.532 0.470 1.238 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.204 1.700 0.469 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -4.769 2.769 0.682 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.067 -1.896 -0.281 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.251 1.587 -0.502 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -3.046 2.433 -1.015 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.079 -1.894 -1.273 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.264 -0.737 -3.089 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 3.099 0.639 -0.281 0.00 0.00 -0.326 N ATOM 20 C LIG 1 2.423 -0.677 -0.270 0.00 0.00 +0.120 C ATOM 21 C LIG 1 2.255 -1.259 -1.694 0.00 0.00 +0.103 C ATOM 22 N LIG 1 1.615 -0.361 -2.669 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 1.788 1.062 -2.339 0.00 0.00 +0.103 C ATOM 24 C LIG 1 3.102 1.350 -1.576 0.00 0.00 +0.120 C BRANCH 19 26 ATOM 25 C LIG 1 5.373 0.084 0.593 0.00 0.00 +0.073 A ATOM 26 C LIG 1 4.209 0.879 0.528 0.00 0.00 +0.050 A ATOM 27 C LIG 1 4.165 2.037 1.327 0.00 0.00 +0.062 A ATOM 28 C LIG 1 5.220 2.375 2.169 0.00 0.00 +0.125 A ATOM 29 F LIG 1 5.139 3.481 2.920 0.00 0.00 -0.205 F ATOM 30 C LIG 1 6.355 1.583 2.241 0.00 0.00 +0.040 A ATOM 31 C LIG 1 6.434 0.439 1.451 0.00 0.00 +0.023 A BRANCH 25 33 ATOM 32 N LIG 1 5.727 -2.042 -0.854 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 5.556 -1.084 -0.220 0.00 0.00 +0.101 C ENDBRANCH 25 33 ENDBRANCH 19 26 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4