REMARK Name = BDB009121 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.760 2.251 0.418 0.00 0.00 +0.404 C ATOM 2 N LIG 1 -0.750 1.420 -0.039 0.00 0.00 -0.261 N ATOM 3 C LIG 1 -0.669 0.031 0.483 0.00 0.00 +0.103 C ATOM 4 C LIG 1 0.731 -0.603 0.240 0.00 0.00 +0.134 C ATOM 5 N LIG 1 1.835 0.326 0.487 0.00 0.00 -0.264 N ATOM 6 C LIG 1 3.019 -0.136 1.026 0.00 0.00 +0.403 C ATOM 7 O LIG 1 3.221 -1.306 1.329 0.00 0.00 -0.226 OA ATOM 8 C LIG 1 1.690 1.700 0.002 0.00 0.00 +0.130 C ATOM 9 C LIG 1 0.403 1.908 -0.797 0.00 0.00 +0.130 C ATOM 10 O LIG 1 -2.660 1.873 1.156 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 11 ATOM 11 O LIG 1 -1.639 3.517 -0.053 0.00 0.00 -0.445 OA BRANCH 11 13 ATOM 12 C LIG 1 -2.098 5.807 -0.418 0.00 0.00 +0.055 C ATOM 13 C LIG 1 -2.594 4.548 0.309 0.00 0.00 +0.107 C ATOM 14 C LIG 1 -3.999 4.210 -0.203 0.00 0.00 +0.055 C ATOM 15 C LIG 1 -2.580 4.817 1.817 0.00 0.00 +0.055 C ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 3 16 ATOM 16 C LIG 1 -1.775 -0.839 -0.148 0.00 0.00 +0.081 C BRANCH 16 17 ATOM 17 C LIG 1 -1.961 -2.211 0.493 0.00 0.00 +0.067 A ATOM 18 C LIG 1 -2.778 -3.227 -0.241 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -3.441 -2.879 -1.545 0.00 0.00 +0.037 C ATOM 20 C LIG 1 -4.500 -3.898 -1.976 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -4.010 -5.325 -1.764 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -3.662 -5.574 -0.294 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -2.899 -4.438 0.329 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -2.266 -4.705 1.645 0.00 0.00 +0.268 A ATOM 25 O LIG 1 -2.360 -5.796 2.197 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 -1.581 -3.659 2.201 0.00 0.00 -0.243 N ATOM 27 H LIG 1 -1.142 -3.818 3.102 0.00 0.00 +0.192 HD ATOM 28 N LIG 1 -1.417 -2.427 1.651 0.00 0.00 -0.176 NA ENDBRANCH 16 17 ENDBRANCH 3 16 BRANCH 6 29 ATOM 29 O LIG 1 3.929 0.861 1.178 0.00 0.00 -0.445 OA BRANCH 29 30 ATOM 30 C LIG 1 5.207 0.471 1.692 0.00 0.00 +0.269 C BRANCH 30 31 ATOM 31 C LIG 1 6.179 0.326 0.550 0.00 0.00 -0.010 A ATOM 32 C LIG 1 6.848 1.445 0.035 0.00 0.00 +0.007 A ATOM 33 C LIG 1 7.733 1.309 -1.036 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.950 0.056 -1.607 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.281 -1.061 -1.112 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.396 -0.927 -0.041 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 7