REMARK Name = BDB027010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.270 1.191 0.206 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.732 1.003 1.338 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.535 -0.294 2.179 0.00 0.00 +0.040 A ATOM 4 C LIG 1 3.516 -0.171 0.779 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.318 0.213 0.157 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.147 0.481 0.865 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.130 0.841 -0.087 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.726 0.760 -1.333 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.180 0.358 2.269 0.00 0.00 +0.011 A ATOM 10 N LIG 1 2.035 0.396 -1.175 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.699 0.267 -1.927 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.368 -0.027 2.906 0.00 0.00 +0.014 A BRANCH 3 16 ATOM 13 C LIG 1 8.137 -1.618 2.670 0.00 0.00 +0.111 C ATOM 14 C LIG 1 6.773 -1.281 3.114 0.00 0.00 +0.215 A ATOM 15 O LIG 1 5.871 -0.931 2.146 0.00 0.00 -0.421 OA ATOM 16 C LIG 1 4.742 -0.698 2.891 0.00 0.00 +0.248 A ATOM 17 N LIG 1 4.944 -0.886 4.181 0.00 0.00 -0.107 NA ATOM 18 N LIG 1 6.262 -1.266 4.324 0.00 0.00 -0.112 NA ENDBRANCH 3 16 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 -2.196 1.788 -0.879 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -1.684 3.141 -1.379 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -1.268 3.368 -2.701 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -0.813 4.626 -3.103 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -0.764 5.677 -2.192 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.172 5.474 -0.878 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.632 4.218 -0.475 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -2.511 0.823 -1.975 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.123 1.331 -2.617 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.274 -0.347 -1.500 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -2.389 -1.566 -1.205 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.215 -2.774 -0.831 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.589 -3.712 -1.803 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.360 -4.821 -1.453 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -4.766 -4.994 -0.132 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -5.719 -6.360 0.296 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -4.407 -4.066 0.844 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -3.633 -2.957 0.495 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8