REMARK Name = BDB017697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.646 2.435 1.944 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -5.097 1.548 1.296 0.00 0.00 +0.254 A ATOM 3 C LIG 1 -5.768 0.885 0.146 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -7.156 1.360 -0.196 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -7.884 0.413 -1.155 0.00 0.00 +0.023 C ATOM 6 C LIG 1 -6.952 -0.047 -2.270 0.00 0.00 +0.102 C ATOM 7 N LIG 1 -5.757 -0.645 -1.687 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -5.090 -0.961 -2.386 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -5.150 -0.078 -0.568 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -3.797 -0.530 -0.163 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.163 0.118 0.909 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -1.879 -0.247 1.329 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -1.200 -1.290 0.688 0.00 0.00 -0.031 A ATOM 14 C LIG 1 -1.835 -1.961 -0.364 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.118 -1.589 -0.782 0.00 0.00 +0.012 A ATOM 16 N LIG 1 -3.829 1.141 1.592 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -3.392 1.606 2.375 0.00 0.00 +0.169 HD ENDROOT BRANCH 13 18 ATOM 18 C LIG 1 0.187 -1.702 1.136 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 1.200 -1.570 0.078 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 2.486 -2.183 0.481 0.00 0.00 +0.104 C ATOM 21 C LIG 1 3.554 -1.207 1.024 0.00 0.00 +0.125 C ATOM 22 N LIG 1 3.816 -0.133 0.066 0.00 0.00 -0.283 N ATOM 23 C LIG 1 2.773 0.166 -0.915 0.00 0.00 +0.125 C ATOM 24 C LIG 1 1.381 -0.154 -0.327 0.00 0.00 +0.104 C BRANCH 22 25 ATOM 25 C LIG 1 5.081 0.300 -0.114 0.00 0.00 +0.293 A ATOM 26 O LIG 1 5.308 1.154 -1.159 0.00 0.00 -0.406 OA ATOM 27 C LIG 1 6.641 1.423 -1.093 0.00 0.00 +0.249 A ATOM 28 C LIG 1 7.149 0.717 -0.010 0.00 0.00 +0.131 A ATOM 29 C LIG 1 8.515 0.834 0.267 0.00 0.00 +0.035 A ATOM 30 C LIG 1 9.261 1.659 -0.579 0.00 0.00 +0.022 A ATOM 31 C LIG 1 8.625 2.312 -1.633 0.00 0.00 +0.115 A ATOM 32 N LIG 1 7.308 2.229 -1.939 0.00 0.00 -0.219 NA ATOM 33 N LIG 1 6.150 0.009 0.602 0.00 0.00 -0.194 NA ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 13 18 TORSDOF 3