REMARK Name = BDB064056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.313 1.055 -0.920 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.351 1.684 -0.115 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.844 2.507 0.909 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -2.147 2.750 1.181 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -3.065 2.144 0.401 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.679 1.316 -0.654 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.476 2.430 0.731 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.495 1.477 0.544 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.818 1.777 0.866 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -7.763 0.847 0.674 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -7.157 3.021 1.381 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -8.431 3.303 1.685 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.176 3.980 1.587 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.847 3.683 1.267 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.035 1.576 -0.231 0.00 0.00 -0.327 N ATOM 16 C LIG 1 1.611 0.278 0.174 0.00 0.00 +0.129 C ATOM 17 C LIG 1 3.116 0.472 0.529 0.00 0.00 +0.056 C ATOM 18 C LIG 1 3.832 1.120 -0.682 0.00 0.00 +0.027 C ATOM 19 C LIG 1 3.141 2.403 -1.167 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.647 2.191 -1.415 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 3.238 1.401 1.686 0.00 0.00 -0.322 NA ATOM 22 H LIG 1 2.590 2.176 1.518 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.893 0.944 2.529 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 3.728 -0.913 0.861 0.00 0.00 +0.183 C BRANCH 24 25 ATOM 25 O LIG 1 5.142 -0.826 1.045 0.00 0.00 -0.375 OA BRANCH 25 26 ATOM 26 C LIG 1 5.751 -2.099 1.327 0.00 0.00 +0.119 C ATOM 27 C LIG 1 7.237 -2.147 1.109 0.00 0.00 +0.034 C ATOM 28 C LIG 1 6.315 -2.835 0.145 0.00 0.00 +0.034 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 29 ATOM 29 C LIG 1 -0.969 0.166 -2.091 0.00 0.00 +0.161 C BRANCH 29 34 ATOM 30 C LIG 1 -2.298 -4.353 -0.926 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -2.337 -3.136 -1.628 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -3.138 -2.679 -2.656 0.00 0.00 -0.231 NA ATOM 33 C LIG 1 -2.698 -1.465 -2.910 0.00 0.00 +0.202 A ATOM 34 N LIG 1 -1.678 -1.104 -2.069 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -1.418 -2.170 -1.250 0.00 0.00 +0.166 A ATOM 36 N LIG 1 -0.486 -2.268 -0.287 0.00 0.00 -0.216 NA ATOM 37 C LIG 1 -0.559 -3.467 0.328 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -1.398 -4.493 0.073 0.00 0.00 -0.219 NA BRANCH 30 39 ATOM 39 N LIG 1 -3.151 -5.415 -1.196 0.00 0.00 -0.341 N ATOM 40 H LIG 1 -3.249 -6.038 -0.406 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 -3.993 -5.144 -1.692 0.00 0.00 +0.144 HD ENDBRANCH 30 39 ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 9