REMARK Name = BDB026276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.526 -1.127 -0.314 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.091 0.216 -0.404 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.241 0.514 -0.704 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.170 -0.516 -0.934 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.720 -1.841 -0.844 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.562 -2.862 -1.064 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.606 -2.150 -0.542 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.470 -4.010 1.616 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.500 -2.472 1.634 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.497 -1.879 0.722 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.876 -2.246 1.002 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.151 -2.063 -0.701 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.631 -2.103 -1.016 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.879 -1.367 0.012 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.065 -1.889 1.390 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.588 -0.195 -1.229 0.00 0.00 -0.024 C ATOM 17 C LIG 1 3.640 -0.969 -0.461 0.00 0.00 +0.146 C ATOM 18 N LIG 1 4.966 -0.376 -0.606 0.00 0.00 -0.263 N ATOM 19 C LIG 1 5.911 -0.687 0.353 0.00 0.00 +0.403 C ATOM 20 O LIG 1 5.670 -1.300 1.387 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 5.323 0.114 -1.935 0.00 0.00 +0.115 C ATOM 22 C LIG 1 4.310 1.136 -2.448 0.00 0.00 +0.046 C ATOM 23 C LIG 1 2.894 0.759 -2.131 0.00 0.00 -0.020 C BRANCH 19 24 ATOM 24 O LIG 1 7.158 -0.236 0.034 0.00 0.00 -0.447 OA BRANCH 24 25 ATOM 25 C LIG 1 8.178 -0.504 1.020 0.00 0.00 +0.189 C ATOM 26 C LIG 1 9.572 0.055 0.680 0.00 0.00 +0.120 C ATOM 27 C LIG 1 9.270 1.252 1.600 0.00 0.00 +0.256 C ATOM 28 F LIG 1 8.825 2.365 0.973 0.00 0.00 -0.205 F ATOM 29 F LIG 1 10.287 1.640 2.401 0.00 0.00 -0.205 F ATOM 30 C LIG 1 8.184 0.394 2.274 0.00 0.00 +0.120 C ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 4 16 BRANCH 2 31 ATOM 31 N LIG 1 -2.094 1.183 -0.184 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.997 0.745 0.007 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.974 2.549 -0.183 0.00 0.00 +0.249 C ATOM 34 O LIG 1 -0.962 3.220 -0.319 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.251 3.259 0.061 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.338 3.176 -0.827 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -5.519 3.864 -0.498 0.00 0.00 +0.051 A ATOM 38 C LIG 1 -5.589 4.628 0.664 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -6.722 5.279 0.955 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -4.502 4.730 1.523 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -3.326 4.047 1.220 0.00 0.00 +0.016 A BRANCH 36 42 ATOM 42 C LIG 1 -4.261 2.383 -2.104 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -5.269 2.684 -2.974 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.113 2.579 -2.803 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.361 1.043 -1.890 0.00 0.00 -0.166 F ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7