REMARK Name = BDB025928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.367 -0.953 0.088 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.460 0.170 -0.161 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.851 0.035 -0.184 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.447 -1.216 0.031 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.617 -2.320 0.268 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.147 -3.533 0.488 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.230 -2.197 0.300 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.268 -3.698 -0.128 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.709 -2.289 -0.550 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.577 -1.736 0.518 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.806 -1.171 -0.046 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.889 -0.745 1.386 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.469 -0.821 2.802 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.352 -0.938 1.457 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.767 -0.763 0.114 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.502 -1.415 -0.992 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.913 -1.350 0.014 0.00 0.00 -0.038 C ATOM 18 C LIG 1 4.738 -0.481 0.947 0.00 0.00 +0.054 C ATOM 19 C LIG 1 6.264 -0.639 0.705 0.00 0.00 +0.059 C ATOM 20 N LIG 1 6.591 -2.062 0.501 0.00 0.00 -0.307 NA ATOM 21 H LIG 1 6.097 -2.640 1.181 0.00 0.00 +0.123 HD ATOM 22 C LIG 1 6.041 -2.322 -0.841 0.00 0.00 +0.077 C ATOM 23 C LIG 1 6.661 -1.174 -1.633 0.00 0.00 +0.024 C ATOM 24 C LIG 1 6.719 -0.021 -0.625 0.00 0.00 +0.021 C ATOM 25 C LIG 1 4.535 -2.199 -0.828 0.00 0.00 -0.004 C ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 -0.224 1.385 -0.381 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.233 1.261 -0.317 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 0.301 2.611 -0.692 0.00 0.00 +0.250 C ATOM 29 O LIG 1 1.480 2.903 -0.846 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -0.751 3.644 -0.916 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -1.652 4.140 0.119 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -2.561 5.084 -0.198 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -2.655 5.614 -1.580 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -3.493 6.453 -1.882 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -1.750 5.102 -2.475 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -1.800 5.476 -3.417 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -0.816 4.147 -2.160 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -1.521 3.611 1.513 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -1.962 2.329 1.595 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.259 4.322 2.405 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.245 3.632 1.966 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 5