REMARK Name = BDB025884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.618 -0.968 0.170 0.00 0.00 +0.015 A ATOM 2 C LIG 1 -0.028 -1.840 1.056 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.669 -2.764 1.738 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.405 -1.782 1.278 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.191 -0.833 0.623 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.547 0.073 -0.259 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.167 -0.005 -0.484 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.590 -0.755 0.782 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.126 -0.872 2.152 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.680 -0.924 2.128 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -6.214 -0.778 3.559 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -6.226 -2.061 1.345 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.946 -3.091 2.072 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.304 -2.574 0.300 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.506 -3.829 0.695 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -4.354 -1.480 -0.266 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 4.850 -1.014 -0.678 0.00 0.00 -0.296 N ATOM 18 C LIG 1 4.335 0.121 0.085 0.00 0.00 +0.113 C ATOM 19 C LIG 1 2.832 0.288 -0.170 0.00 0.00 +0.054 C ATOM 20 C LIG 1 2.081 -1.016 -0.059 0.00 0.00 -0.038 C ATOM 21 C LIG 1 2.747 -2.180 -0.189 0.00 0.00 -0.004 C ATOM 22 C LIG 1 4.227 -2.311 -0.431 0.00 0.00 +0.135 C BRANCH 17 25 ATOM 23 C LIG 1 8.300 -0.051 -0.725 0.00 0.00 +0.153 A ATOM 24 N LIG 1 6.958 0.032 -0.583 0.00 0.00 -0.208 NA ATOM 25 C LIG 1 6.239 -1.077 -0.786 0.00 0.00 +0.219 A ATOM 26 N LIG 1 6.815 -2.247 -1.119 0.00 0.00 -0.223 NA ATOM 27 C LIG 1 8.153 -2.292 -1.250 0.00 0.00 +0.117 A ATOM 28 C LIG 1 8.962 -1.208 -1.062 0.00 0.00 +0.055 A BRANCH 23 29 ATOM 29 C LIG 1 9.104 1.186 -0.498 0.00 0.00 +0.358 C ATOM 30 O LIG 1 10.323 1.220 -0.589 0.00 0.00 -0.243 OA BRANCH 29 31 ATOM 31 O LIG 1 8.298 2.231 -0.181 0.00 0.00 -0.460 OA BRANCH 31 33 ATOM 32 C LIG 1 9.386 3.593 1.498 0.00 0.00 +0.048 C ATOM 33 C LIG 1 8.953 3.485 0.048 0.00 0.00 +0.229 C ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 23 29 ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 34 ATOM 34 N LIG 1 -2.379 1.052 -0.844 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -3.343 0.972 -0.529 0.00 0.00 +0.155 HD ATOM 36 C LIG 1 -2.026 2.081 -1.680 0.00 0.00 +0.250 C ATOM 37 O LIG 1 -0.914 2.371 -2.098 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 -3.195 2.926 -2.048 0.00 0.00 +0.065 A ATOM 39 C LIG 1 -4.165 2.550 -3.070 0.00 0.00 +0.073 A ATOM 40 C LIG 1 -5.194 3.380 -3.335 0.00 0.00 +0.083 A ATOM 41 C LIG 1 -5.341 4.662 -2.600 0.00 0.00 +0.249 A ATOM 42 O LIG 1 -6.277 5.417 -2.824 0.00 0.00 -0.268 OA ATOM 43 N LIG 1 -4.369 4.929 -1.667 0.00 0.00 -0.328 N ATOM 44 H LIG 1 -4.461 5.812 -1.177 0.00 0.00 +0.168 HD ATOM 45 C LIG 1 -3.316 4.092 -1.395 0.00 0.00 +0.099 A BRANCH 39 46 ATOM 46 C LIG 1 -3.969 1.262 -3.807 0.00 0.00 +0.418 C ATOM 47 F LIG 1 -4.115 0.191 -2.984 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -4.879 1.097 -4.804 0.00 0.00 -0.166 F ATOM 49 F LIG 1 -2.747 1.167 -4.381 0.00 0.00 -0.166 F ENDBRANCH 39 46 ENDBRANCH 36 38 ENDBRANCH 6 34 TORSDOF 9