REMARK Name = BDB013970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.040 -1.656 0.254 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -1.312 -0.903 -0.876 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -1.886 0.019 -1.469 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.011 -1.274 -1.135 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.598 -2.506 -0.697 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.159 -3.696 -0.618 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.445 -4.880 -0.156 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.792 -4.902 0.199 0.00 0.00 +0.000 A ATOM 9 C LIG 1 2.550 -3.744 0.093 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.586 -3.761 -1.101 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.961 -2.561 -0.359 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.554 -3.018 -0.193 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.504 -0.720 2.028 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.147 -0.811 0.706 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -3.427 -0.091 0.046 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -3.022 -1.463 2.885 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.618 0.311 2.367 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.583 1.589 1.528 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.495 1.428 4.261 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -4.614 0.597 3.826 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -4.524 -0.310 4.295 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.824 -0.323 -1.894 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 1.532 0.827 -1.166 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.375 1.685 -1.963 0.00 0.00 -0.010 A ATOM 25 C LIG 1 3.060 2.757 -1.343 0.00 0.00 -0.017 A ATOM 26 C LIG 1 3.891 3.611 -2.090 0.00 0.00 +0.021 A ATOM 27 C LIG 1 4.072 3.439 -3.468 0.00 0.00 +0.055 A ATOM 28 C LIG 1 3.401 2.393 -4.097 0.00 0.00 +0.013 A ATOM 29 C LIG 1 2.907 2.980 0.025 0.00 0.00 +0.012 A ATOM 30 C LIG 1 2.081 2.163 0.793 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.573 1.538 -3.360 0.00 0.00 +0.009 A ATOM 32 C LIG 1 1.397 1.089 0.219 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 4.958 4.384 -4.239 0.00 0.00 +0.417 C ATOM 34 F LIG 1 5.159 4.009 -5.533 0.00 0.00 -0.166 F ATOM 35 F LIG 1 6.198 4.502 -3.689 0.00 0.00 -0.166 F ATOM 36 F LIG 1 4.450 5.646 -4.289 0.00 0.00 -0.166 F ENDBRANCH 27 33 BRANCH 32 37 ATOM 37 O LIG 1 0.572 0.278 0.949 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 0.591 0.381 2.369 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7