REMARK Name = BDB017410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.904 -0.078 0.669 0.00 0.00 +0.161 C ATOM 2 C LIG 1 1.372 0.017 0.537 0.00 0.00 +0.239 C ATOM 3 O LIG 1 0.850 1.002 0.001 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.623 -1.048 0.970 0.00 0.00 -0.262 N ATOM 5 C LIG 1 1.067 -2.138 1.797 0.00 0.00 +0.209 C ATOM 6 C LIG 1 -0.233 -2.762 2.299 0.00 0.00 +0.061 C ATOM 7 C LIG 1 -1.237 -2.550 1.153 0.00 0.00 +0.002 C ATOM 8 C LIG 1 -1.224 -3.763 0.202 0.00 0.00 +0.009 C ATOM 9 C LIG 1 -2.070 -4.825 0.908 0.00 0.00 +0.001 C ATOM 10 C LIG 1 -2.975 -4.068 1.879 0.00 0.00 +0.001 C ATOM 11 C LIG 1 -2.685 -2.587 1.650 0.00 0.00 +0.009 C ATOM 12 O LIG 1 1.738 -1.661 2.950 0.00 0.00 -0.359 OA ATOM 13 C LIG 1 3.125 -1.429 2.775 0.00 0.00 +0.164 C ATOM 14 C LIG 1 -0.788 -1.182 0.573 0.00 0.00 +0.171 C ATOM 15 C LIG 1 3.368 -0.083 2.119 0.00 0.00 +0.060 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.751 1.071 -0.535 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.461 1.072 -0.045 0.00 0.00 -0.303 N ATOM 18 H LIG 1 2.779 1.707 -0.454 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 5.542 0.161 -0.308 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 5.090 2.326 -1.370 0.00 0.00 +0.137 C ATOM 21 C LIG 1 6.463 2.217 -2.029 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 5.906 3.701 0.505 0.00 0.00 +0.101 C ATOM 23 N LIG 1 4.919 3.559 -0.560 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 3.992 3.539 -0.135 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -0.909 -1.143 -0.971 0.00 0.00 +0.235 C ATOM 26 N LIG 1 -2.073 -0.740 -1.558 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -1.993 -0.717 -2.567 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -0.007 -1.559 -1.706 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.163 0.039 -0.985 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -3.058 1.528 -1.266 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -4.202 2.316 -1.015 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -4.165 3.700 -1.222 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.000 4.306 -1.686 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.864 3.537 -1.927 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.429 1.652 -0.448 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -5.727 0.312 -1.122 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -1.889 2.158 -1.713 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -4.491 -0.486 -1.554 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5