REMARK Name = BDB026239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.236 1.022 0.126 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.147 -0.301 -0.206 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.494 -0.625 -0.395 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.494 0.354 -0.264 0.00 0.00 +0.022 A ATOM 5 C LIG 1 2.096 1.657 0.062 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.016 2.625 0.202 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.758 1.994 0.262 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.259 3.732 -0.955 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.556 2.828 0.064 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.515 3.344 1.460 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -3.530 4.798 1.597 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.370 2.782 2.218 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.960 1.357 1.787 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.610 1.291 0.343 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.159 2.402 -0.472 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.912 0.018 -0.463 0.00 0.00 +0.023 A ATOM 17 C LIG 1 4.558 -0.937 0.339 0.00 0.00 +0.167 A ATOM 18 F LIG 1 3.881 -1.545 1.326 0.00 0.00 -0.202 F ATOM 19 C LIG 1 5.902 -1.254 0.154 0.00 0.00 +0.171 A ATOM 20 F LIG 1 6.475 -2.147 0.975 0.00 0.00 -0.202 F ATOM 21 C LIG 1 6.639 -0.614 -0.839 0.00 0.00 +0.074 A ATOM 22 C LIG 1 6.018 0.338 -1.657 0.00 0.00 +0.017 A ATOM 23 C LIG 1 4.667 0.650 -1.467 0.00 0.00 +0.012 A BRANCH 21 24 ATOM 24 C LIG 1 8.063 -0.962 -1.034 0.00 0.00 +0.244 C ATOM 25 O LIG 1 8.486 -2.099 -0.890 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 8.901 0.062 -1.385 0.00 0.00 -0.325 N ATOM 27 H LIG 1 8.649 1.032 -1.260 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 9.889 -0.166 -1.394 0.00 0.00 +0.145 HD ENDBRANCH 21 24 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -0.913 -1.223 -0.334 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.814 -0.792 -0.136 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.849 -2.556 -0.654 0.00 0.00 +0.249 C ATOM 32 O LIG 1 0.146 -3.224 -0.891 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.170 -3.233 -0.712 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -2.382 -4.453 -0.043 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -3.638 -5.075 -0.171 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -4.643 -4.487 -0.933 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -5.831 -5.093 -1.036 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.431 -3.282 -1.589 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -3.192 -2.652 -1.485 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -1.311 -5.097 0.802 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -0.656 -4.220 1.609 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.376 -5.764 0.077 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.832 -6.031 1.656 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6