REMARK Name = BDB009480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.207 -1.525 -0.744 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.758 -0.505 -1.264 0.00 0.00 +0.247 C ATOM 3 N LIG 1 0.575 -0.159 -1.199 0.00 0.00 -0.308 N ATOM 4 H LIG 1 0.896 0.632 -1.746 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.571 -1.009 -0.553 0.00 0.00 +0.076 C ATOM 6 C LIG 1 2.774 -0.171 -0.082 0.00 0.00 +0.041 C ATOM 7 C LIG 1 4.114 -0.761 -0.509 0.00 0.00 +0.110 C ATOM 8 N LIG 1 4.156 -2.198 -0.244 0.00 0.00 -0.297 N ATOM 9 C LIG 1 5.239 -2.886 0.303 0.00 0.00 +0.247 C ATOM 10 O LIG 1 5.349 -4.110 0.272 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 3.082 -3.002 -0.826 0.00 0.00 +0.110 C ATOM 12 C LIG 1 1.984 -2.163 -1.473 0.00 0.00 +0.041 C BRANCH 9 13 ATOM 13 C LIG 1 6.317 -2.122 0.964 0.00 0.00 +0.039 A ATOM 14 C LIG 1 6.026 -1.338 2.091 0.00 0.00 +0.043 A ATOM 15 C LIG 1 7.079 -0.632 2.687 0.00 0.00 +0.089 A ATOM 16 C LIG 1 8.364 -0.746 2.165 0.00 0.00 +0.066 A ATOM 17 N LIG 1 9.128 0.059 2.974 0.00 0.00 -0.344 N ATOM 18 H LIG 1 10.124 0.206 2.897 0.00 0.00 +0.167 HD ATOM 19 C LIG 1 8.310 0.599 3.925 0.00 0.00 +0.197 A ATOM 20 C LIG 1 8.682 -1.547 1.064 0.00 0.00 +0.028 A ATOM 21 N LIG 1 7.064 0.214 3.769 0.00 0.00 -0.236 NA ATOM 22 C LIG 1 7.622 -2.241 0.470 0.00 0.00 +0.015 A ENDBRANCH 9 13 ENDBRANCH 3 5 BRANCH 2 23 ATOM 23 C LIG 1 -1.671 0.419 -1.995 0.00 0.00 +0.072 A ATOM 24 C LIG 1 -1.217 1.519 -2.727 0.00 0.00 +0.135 A ATOM 25 F LIG 1 0.093 1.796 -2.825 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -2.111 2.366 -3.380 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -3.482 2.119 -3.307 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -3.967 1.016 -2.589 0.00 0.00 -0.041 A ATOM 29 C LIG 1 -3.053 0.173 -1.934 0.00 0.00 +0.020 A BRANCH 28 30 ATOM 30 C LIG 1 -5.455 0.772 -2.486 0.00 0.00 +0.094 C BRANCH 30 31 ATOM 31 C LIG 1 -6.106 1.652 -1.426 0.00 0.00 +0.087 A ATOM 32 C LIG 1 -6.133 1.188 0.007 0.00 0.00 +0.059 A ATOM 33 N LIG 1 -5.699 -0.079 0.385 0.00 0.00 -0.342 N ATOM 34 H LIG 1 -5.747 -0.788 -0.342 0.00 0.00 +0.146 HD ATOM 35 C LIG 1 -5.983 -0.590 1.722 0.00 0.00 +0.102 C ATOM 36 C LIG 1 -5.778 0.526 2.742 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -6.607 1.768 2.381 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -6.582 2.078 0.908 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -7.095 3.395 0.470 0.00 0.00 +0.270 A ATOM 40 O LIG 1 -7.509 4.228 1.272 0.00 0.00 -0.266 OA ATOM 41 N LIG 1 -7.105 3.620 -0.881 0.00 0.00 -0.243 N ATOM 42 H LIG 1 -7.426 4.532 -1.194 0.00 0.00 +0.192 HD ATOM 43 N LIG 1 -6.582 2.796 -1.831 0.00 0.00 -0.174 NA ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 2 23 TORSDOF 5