REMARK Name = BDB022670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.376 -0.614 2.502 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.710 -2.115 -0.321 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.315 -1.330 0.764 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.046 -1.491 1.349 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -0.835 -2.441 0.819 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.451 -3.227 -0.265 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.815 -3.064 -0.831 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 4.022 -1.183 -0.610 0.00 0.00 +0.222 C ATOM 9 N LIG 1 2.966 -2.009 -0.957 0.00 0.00 -0.285 N ATOM 10 H LIG 1 3.111 -2.634 -1.740 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 4.061 -0.422 0.351 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 8.223 0.476 -2.698 0.00 0.00 +0.239 C ATOM 13 N LIG 1 7.043 -0.192 -2.483 0.00 0.00 -0.297 N ATOM 14 C LIG 1 6.354 -0.392 -1.212 0.00 0.00 +0.120 C ATOM 15 C LIG 1 5.207 -1.343 -1.547 0.00 0.00 +0.094 C ATOM 16 C LIG 1 4.889 -0.981 -3.000 0.00 0.00 +0.033 C ATOM 17 C LIG 1 6.259 -0.690 -3.594 0.00 0.00 +0.109 C ATOM 18 O LIG 1 8.706 0.678 -3.807 0.00 0.00 -0.271 OA BRANCH 12 20 ATOM 19 C LIG 1 9.642 0.174 -0.737 0.00 0.00 +0.006 C ATOM 20 C LIG 1 8.909 1.000 -1.498 0.00 0.00 +0.065 C BRANCH 19 21 ATOM 21 C LIG 1 10.388 0.602 0.481 0.00 0.00 +0.187 C BRANCH 21 23 ATOM 22 C LIG 1 10.563 0.142 2.782 0.00 0.00 +0.194 C ATOM 23 O LIG 1 9.905 -0.185 1.565 0.00 0.00 -0.379 OA ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.027 0.576 2.008 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -0.454 1.143 1.381 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.372 0.614 1.695 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -2.790 1.563 0.755 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -4.098 1.658 0.384 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -4.149 2.668 -0.558 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -2.798 3.096 -0.674 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -5.015 0.834 0.945 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 -4.591 -0.035 1.825 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -1.958 2.420 0.118 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -3.272 -0.176 2.209 0.00 0.00 -0.181 NA BRANCH 29 35 ATOM 35 C LIG 1 -5.338 3.201 -1.297 0.00 0.00 +0.018 C ATOM 36 C LIG 1 -6.379 3.803 -0.350 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -5.978 2.138 -2.193 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 N LIG 1 -5.446 -0.900 2.444 0.00 0.00 -0.310 N ATOM 39 H LIG 1 -4.965 -1.614 2.977 0.00 0.00 +0.149 HD BRANCH 38 40 ATOM 40 C LIG 1 -6.811 -1.198 2.047 0.00 0.00 +0.077 C ATOM 41 C LIG 1 -7.742 0.005 2.244 0.00 0.00 +0.050 C ATOM 42 C LIG 1 -8.799 0.069 1.153 0.00 0.00 +0.161 C ATOM 43 O LIG 1 -9.286 -1.244 0.889 0.00 0.00 -0.380 OA ATOM 44 C LIG 1 -8.322 -2.074 0.240 0.00 0.00 +0.161 C ATOM 45 C LIG 1 -6.879 -1.765 0.632 0.00 0.00 +0.050 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 11