REMARK Name = BDB023420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.004 -1.432 0.107 0.00 0.00 +0.162 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 0.287 -3.658 0.922 0.00 0.00 +0.401 C ATOM 3 N LIG 1 1.054 -2.546 1.043 0.00 0.00 -0.270 N ATOM 4 H LIG 1 1.700 -2.497 1.824 0.00 0.00 +0.153 HD ATOM 5 O LIG 1 -0.528 -3.848 0.032 0.00 0.00 -0.226 OA BRANCH 2 6 ATOM 6 O LIG 1 0.571 -4.509 1.935 0.00 0.00 -0.451 OA BRANCH 6 8 ATOM 7 C LIG 1 0.530 -6.774 1.080 0.00 0.00 +0.048 C ATOM 8 C LIG 1 -0.167 -5.739 1.942 0.00 0.00 +0.230 C ENDBRANCH 6 8 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 9 ATOM 9 C LIG 1 2.358 -0.696 0.214 0.00 0.00 +0.238 C ATOM 10 N LIG 1 2.709 -0.030 -0.949 0.00 0.00 -0.284 N ATOM 11 H LIG 1 2.094 -0.146 -1.745 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 3.004 -0.724 1.260 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 3.850 0.769 -1.173 0.00 0.00 +0.037 A ATOM 14 C LIG 1 4.816 1.050 -0.205 0.00 0.00 +0.069 A ATOM 15 C LIG 1 5.922 1.851 -0.514 0.00 0.00 +0.123 A ATOM 16 C LIG 1 6.055 2.399 -1.789 0.00 0.00 +0.046 A ATOM 17 C LIG 1 5.095 2.127 -2.761 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.000 1.315 -2.455 0.00 0.00 +0.023 A BRANCH 15 19 ATOM 19 O LIG 1 6.801 2.077 0.516 0.00 0.00 -0.489 OA BRANCH 19 20 ATOM 20 C LIG 1 8.160 2.362 0.133 0.00 0.00 +0.174 C ATOM 21 C LIG 1 9.041 2.834 1.259 0.00 0.00 +0.048 C ATOM 22 C LIG 1 8.590 3.803 0.207 0.00 0.00 +0.048 C ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 23 ATOM 23 C LIG 1 -0.177 -0.505 0.441 0.00 0.00 +0.032 C BRANCH 23 24 ATOM 24 C LIG 1 -0.536 0.455 -0.697 0.00 0.00 +0.003 C BRANCH 24 25 ATOM 25 C LIG 1 -1.765 1.319 -0.399 0.00 0.00 +0.009 C BRANCH 25 26 ATOM 26 C LIG 1 -3.068 0.523 -0.323 0.00 0.00 +0.096 C BRANCH 26 27 ATOM 27 C LIG 1 -4.291 1.421 -0.193 0.00 0.00 +0.217 C ATOM 28 N LIG 1 -5.453 0.679 -0.149 0.00 0.00 -0.284 N ATOM 29 H LIG 1 -5.392 -0.334 -0.212 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -4.203 2.642 -0.131 0.00 0.00 -0.275 OA BRANCH 28 31 ATOM 31 C LIG 1 -6.784 1.139 -0.061 0.00 0.00 +0.054 A ATOM 32 C LIG 1 -7.779 0.138 -0.020 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -9.121 0.504 0.118 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -9.482 1.852 0.136 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -8.499 2.838 0.055 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -7.151 2.484 -0.037 0.00 0.00 +0.025 A BRANCH 32 37 ATOM 37 N LIG 1 -7.396 -1.225 0.119 0.00 0.00 -0.357 N ATOM 38 H LIG 1 -8.156 -1.843 -0.159 0.00 0.00 +0.142 HD ATOM 39 H LIG 1 -7.180 -1.404 1.100 0.00 0.00 +0.142 HD ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 14