REMARK Name = BDB026164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.919 0.067 0.414 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.440 0.476 0.420 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.789 1.794 0.735 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.192 2.745 1.069 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -1.527 2.319 1.066 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -2.509 3.179 1.380 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.891 1.010 0.745 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.202 -1.600 -3.249 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.998 -1.435 -1.739 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.799 -2.402 -0.935 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -3.508 -3.801 -1.255 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.595 -2.077 0.504 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.402 -2.979 1.447 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.106 -2.033 0.954 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.218 -1.262 0.052 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.484 -1.437 -1.397 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 0.184 4.132 1.408 0.00 0.00 -0.014 A ATOM 18 C LIG 1 -0.470 5.231 0.820 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -0.108 6.549 1.142 0.00 0.00 +0.072 A ATOM 20 C LIG 1 0.907 6.776 2.068 0.00 0.00 +0.136 A ATOM 21 F LIG 1 1.297 8.018 2.387 0.00 0.00 -0.205 F ATOM 22 C LIG 1 1.569 5.707 2.661 0.00 0.00 +0.040 A ATOM 23 C LIG 1 1.212 4.396 2.333 0.00 0.00 +0.011 A BRANCH 19 24 ATOM 24 C LIG 1 -0.808 7.698 0.526 0.00 0.00 +0.244 C ATOM 25 O LIG 1 -1.031 8.736 1.133 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 -1.194 7.552 -0.780 0.00 0.00 -0.325 N ATOM 27 H LIG 1 -1.560 8.384 -1.225 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 -0.814 6.831 -1.376 0.00 0.00 +0.145 HD ENDBRANCH 19 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 1.381 -0.532 0.116 0.00 0.00 -0.280 N ATOM 30 H LIG 1 0.932 -1.429 -0.061 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 2.750 -0.444 0.113 0.00 0.00 +0.250 C ATOM 32 O LIG 1 3.440 0.531 0.376 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 3.401 -1.744 -0.211 0.00 0.00 +0.065 A ATOM 34 C LIG 1 3.409 -2.334 -1.540 0.00 0.00 +0.073 A ATOM 35 C LIG 1 4.038 -3.510 -1.725 0.00 0.00 +0.083 A ATOM 36 C LIG 1 4.717 -4.213 -0.603 0.00 0.00 +0.252 A ATOM 37 O LIG 1 5.256 -5.292 -0.821 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 4.677 -3.566 0.628 0.00 0.00 -0.318 N ATOM 39 C LIG 1 5.342 -4.171 1.773 0.00 0.00 +0.152 C ATOM 40 C LIG 1 4.033 -2.352 0.805 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 2.745 -1.603 -2.663 0.00 0.00 +0.418 C ATOM 42 F LIG 1 1.395 -1.597 -2.517 0.00 0.00 -0.166 F ATOM 43 F LIG 1 2.990 -2.178 -3.870 0.00 0.00 -0.166 F ATOM 44 F LIG 1 3.146 -0.314 -2.761 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6