REMARK Name = BDB005959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.296 0.537 -0.081 0.00 0.00 -0.287 N ATOM 2 C LIG 1 0.838 -0.312 0.314 0.00 0.00 +0.137 C ATOM 3 C LIG 1 2.181 0.206 -0.154 0.00 0.00 -0.015 A ATOM 4 C LIG 1 2.361 1.564 -0.423 0.00 0.00 -0.030 A ATOM 5 C LIG 1 3.619 2.043 -0.836 0.00 0.00 +0.053 A ATOM 6 C LIG 1 4.702 1.173 -0.994 0.00 0.00 +0.162 A ATOM 7 C LIG 1 4.518 -0.183 -0.693 0.00 0.00 +0.163 A ATOM 8 C LIG 1 1.220 2.518 -0.222 0.00 0.00 +0.131 C ATOM 9 C LIG 1 3.269 -0.667 -0.301 0.00 0.00 +0.055 A ATOM 10 C LIG 1 -0.166 1.905 -0.273 0.00 0.00 +0.221 C ATOM 11 O LIG 1 -1.134 2.646 -0.464 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 0.820 -0.639 1.805 0.00 0.00 -0.023 A ATOM 13 C LIG 1 0.756 -1.981 2.223 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.741 -2.308 3.582 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.791 -1.297 4.537 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 0.772 -1.698 6.209 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.857 0.037 4.146 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.873 0.364 2.787 0.00 0.00 +0.007 A ENDBRANCH 2 12 BRANCH 1 22 ATOM 19 C LIG 1 -4.570 -0.177 -0.474 0.00 0.00 +0.076 C ATOM 20 C LIG 1 -3.624 -0.709 -1.565 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -2.274 0.006 -1.521 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -1.627 -0.101 -0.128 0.00 0.00 +0.077 C ATOM 23 C LIG 1 -2.575 0.387 0.981 0.00 0.00 +0.024 C ATOM 24 C LIG 1 -3.930 -0.317 0.915 0.00 0.00 +0.024 C BRANCH 19 25 ATOM 25 N LIG 1 -5.900 -0.804 -0.513 0.00 0.00 -0.301 N ATOM 26 C LIG 1 -6.078 -2.175 -0.447 0.00 0.00 +0.328 C ATOM 27 O LIG 1 -7.154 -2.758 -0.407 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 -7.082 0.054 -0.441 0.00 0.00 +0.107 C BRANCH 28 30 ATOM 29 C LIG 1 -6.940 1.178 -2.722 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.748 0.280 -1.799 0.00 0.00 +0.016 C ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 19 25 ENDBRANCH 1 22 BRANCH 6 31 ATOM 31 O LIG 1 5.949 1.544 -1.419 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 6.107 2.870 -1.905 0.00 0.00 +0.277 C ENDBRANCH 6 31 BRANCH 7 33 ATOM 33 O LIG 1 5.512 -1.117 -0.839 0.00 0.00 -0.486 OA BRANCH 33 34 ATOM 34 C LIG 1 6.553 -0.974 0.143 0.00 0.00 +0.167 C ATOM 35 C LIG 1 6.366 -2.055 1.203 0.00 0.00 +0.051 C ATOM 36 C LIG 1 7.888 -1.153 -0.572 0.00 0.00 +0.051 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 8