REMARK Name = BDB017717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.906 -1.103 0.333 0.00 0.00 -0.029 A ATOM 2 C LIG 1 1.866 -0.897 1.334 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.161 -0.484 1.001 0.00 0.00 +0.054 A ATOM 4 C LIG 1 3.544 -0.276 -0.332 0.00 0.00 +0.055 A ATOM 5 C LIG 1 4.935 0.147 -0.611 0.00 0.00 +0.048 A ATOM 6 N LIG 1 5.346 0.331 -1.923 0.00 0.00 -0.343 N ATOM 7 H LIG 1 4.588 0.428 -2.599 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 6.573 1.040 -2.245 0.00 0.00 +0.102 C ATOM 9 C LIG 1 7.665 0.600 -1.276 0.00 0.00 +0.023 C ATOM 10 C LIG 1 7.217 0.775 0.180 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.791 0.346 0.412 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.367 0.148 1.824 0.00 0.00 +0.254 A ATOM 13 O LIG 1 6.130 0.348 2.765 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.571 -0.483 -1.318 0.00 0.00 +0.135 A ATOM 15 F LIG 1 2.854 -0.278 -2.615 0.00 0.00 -0.205 F ATOM 16 N LIG 1 4.083 -0.269 2.030 0.00 0.00 -0.322 N ATOM 17 H LIG 1 3.815 -0.400 2.996 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 1.274 -0.893 -1.000 0.00 0.00 +0.044 A ENDROOT BRANCH 1 19 ATOM 19 C LIG 1 -0.493 -1.559 0.687 0.00 0.00 +0.119 C BRANCH 19 23 ATOM 20 N LIG 1 -3.842 0.015 0.631 0.00 0.00 -0.327 N ATOM 21 C LIG 1 -3.579 -1.337 1.162 0.00 0.00 +0.120 C ATOM 22 C LIG 1 -2.406 -1.292 2.172 0.00 0.00 +0.103 C ATOM 23 N LIG 1 -1.154 -0.678 1.662 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -1.491 0.654 1.096 0.00 0.00 +0.103 C ATOM 25 C LIG 1 -2.643 0.665 0.062 0.00 0.00 +0.120 C BRANCH 20 28 ATOM 26 C LIG 1 -6.066 1.632 1.439 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -6.067 0.865 0.145 0.00 0.00 -0.027 A ATOM 28 C LIG 1 -4.957 0.074 -0.227 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -4.999 -0.625 -1.446 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -6.115 -0.547 -2.280 0.00 0.00 +0.040 A ATOM 31 C LIG 1 -7.197 0.233 -1.899 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -8.269 0.310 -2.698 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -7.184 0.937 -0.701 0.00 0.00 +0.043 A ENDBRANCH 20 28 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 3