REMARK Name = BDB053836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.643 1.159 1.742 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.890 1.193 1.107 0.00 0.00 +0.223 C ATOM 3 O LIG 1 -2.187 2.089 0.315 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.909 0.111 1.471 0.00 0.00 +0.125 C ATOM 5 C LIG 1 -3.439 -0.663 0.237 0.00 0.00 +0.104 C ATOM 6 C LIG 1 -4.420 -1.772 0.719 0.00 0.00 +0.055 C ATOM 7 C LIG 1 -5.139 -1.396 2.022 0.00 0.00 +0.084 C ATOM 8 N LIG 1 -5.341 0.044 2.119 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -5.937 0.269 2.918 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -4.066 0.771 2.241 0.00 0.00 +0.096 C BRANCH 5 11 ATOM 11 C LIG 1 -2.304 -1.267 -0.599 0.00 0.00 -0.012 A ATOM 12 C LIG 1 -2.063 -0.836 -1.918 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -1.019 -1.375 -2.664 0.00 0.00 +0.159 A ATOM 14 F LIG 1 -0.816 -0.955 -3.921 0.00 0.00 -0.202 F ATOM 15 C LIG 1 -0.188 -2.338 -2.113 0.00 0.00 +0.158 A ATOM 16 F LIG 1 0.835 -2.838 -2.821 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -0.394 -2.781 -0.813 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -1.445 -2.248 -0.060 0.00 0.00 +0.009 A ENDBRANCH 5 11 BRANCH 5 19 ATOM 19 O LIG 1 -4.231 0.192 -0.606 0.00 0.00 -0.383 OA ATOM 20 H LIG 1 -4.964 0.525 -0.052 0.00 0.00 +0.211 HD ENDBRANCH 5 19 ENDBRANCH 2 4 BRANCH 1 21 ATOM 21 C LIG 1 -0.251 0.174 2.722 0.00 0.00 +0.077 C ATOM 22 C LIG 1 -0.861 0.157 4.103 0.00 0.00 +0.024 C ATOM 23 C LIG 1 0.579 0.520 3.935 0.00 0.00 +0.024 C ENDBRANCH 1 21 BRANCH 1 24 ATOM 24 C LIG 1 0.403 2.043 1.211 0.00 0.00 +0.145 C BRANCH 24 32 ATOM 25 N LIG 1 2.446 -0.067 -1.041 0.00 0.00 -0.339 N ATOM 26 C LIG 1 1.918 0.793 -1.983 0.00 0.00 +0.053 A ATOM 27 C LIG 1 1.121 1.716 -1.291 0.00 0.00 +0.040 A ATOM 28 C LIG 1 0.494 2.738 -2.033 0.00 0.00 +0.133 A ATOM 29 C LIG 1 0.636 2.805 -3.418 0.00 0.00 +0.039 A ATOM 30 C LIG 1 1.407 1.862 -4.085 0.00 0.00 +0.005 A ATOM 31 F LIG 1 -0.234 3.682 -1.419 0.00 0.00 -0.205 F ATOM 32 C LIG 1 1.141 1.358 0.097 0.00 0.00 -0.002 A ATOM 33 C LIG 1 2.063 0.846 -3.382 0.00 0.00 +0.026 A ATOM 34 C LIG 1 1.982 0.266 0.207 0.00 0.00 +0.092 A BRANCH 25 35 ATOM 35 C LIG 1 3.345 -1.186 -1.306 0.00 0.00 +0.197 C BRANCH 35 38 ATOM 36 C LIG 1 5.492 1.056 -1.746 0.00 0.00 +0.174 C ATOM 37 N LIG 1 5.556 -0.042 -0.816 0.00 0.00 -0.251 N ATOM 38 C LIG 1 4.640 -1.037 -0.589 0.00 0.00 +0.147 A ATOM 39 N LIG 1 5.107 -1.831 0.358 0.00 0.00 -0.218 NA ATOM 40 C LIG 1 6.310 -1.273 0.677 0.00 0.00 +0.245 A ATOM 41 N LIG 1 6.628 -0.179 -0.014 0.00 0.00 -0.158 NA ENDBRANCH 35 38 ENDBRANCH 25 35 ENDBRANCH 24 32 ENDBRANCH 1 24 TORSDOF 8