REMARK Name = BDB025982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.429 -1.016 0.595 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.899 0.220 0.155 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.431 0.313 -0.267 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.268 -0.818 -0.270 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.724 -2.032 0.177 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.468 -3.149 0.200 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.601 -2.138 0.602 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.167 -3.599 0.890 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.070 -2.090 0.614 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.440 -1.250 1.767 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.831 -1.334 2.175 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.437 -1.192 2.854 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.768 -2.026 4.101 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.981 -1.521 2.393 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.779 -1.054 1.012 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.662 -1.731 0.026 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.686 -0.704 -0.691 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.727 -1.492 0.066 0.00 0.00 +0.054 C ATOM 19 C LIG 1 5.136 -0.908 -0.103 0.00 0.00 +0.113 C ATOM 20 N LIG 1 5.402 -0.653 -1.516 0.00 0.00 -0.296 N ATOM 21 C LIG 1 4.482 0.244 -2.210 0.00 0.00 +0.135 C ATOM 22 C LIG 1 3.065 0.071 -1.726 0.00 0.00 -0.004 C BRANCH 20 23 ATOM 23 C LIG 1 6.741 -0.405 -1.827 0.00 0.00 +0.218 A ATOM 24 N LIG 1 7.698 -0.790 -0.964 0.00 0.00 -0.222 NA ATOM 25 C LIG 1 8.983 -0.558 -1.298 0.00 0.00 +0.121 A ATOM 26 C LIG 1 9.380 0.057 -2.462 0.00 0.00 +0.014 A ATOM 27 C LIG 1 8.339 0.406 -3.288 0.00 0.00 +0.121 A ATOM 28 N LIG 1 7.038 0.191 -2.996 0.00 0.00 -0.222 NA BRANCH 26 29 ATOM 29 C LIG 1 10.819 0.243 -2.804 0.00 0.00 +0.194 C BRANCH 29 30 ATOM 30 O LIG 1 10.989 1.308 -3.731 0.00 0.00 -0.390 OA ATOM 31 H LIG 1 11.938 1.351 -3.939 0.00 0.00 +0.210 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -1.795 1.308 0.213 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -2.705 1.023 0.576 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -1.564 2.622 -0.102 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -0.537 3.124 -0.538 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -2.735 3.489 0.214 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -3.990 3.476 -0.530 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -4.997 4.277 -0.131 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -4.831 5.180 1.038 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -5.746 5.895 1.420 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -3.602 5.147 1.646 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -3.484 5.767 2.439 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -2.578 4.319 1.257 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -4.109 2.596 -1.734 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -3.094 2.774 -2.616 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.125 1.283 -1.394 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -5.260 2.821 -2.425 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 8