REMARK Name = BDB024426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.591 -1.756 0.439 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.128 -3.165 0.078 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.656 -4.291 0.733 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.233 -5.577 0.395 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.721 -5.757 -0.604 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.250 -4.652 -1.267 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.827 -3.364 -0.930 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.264 -1.446 1.931 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.906 -0.863 2.319 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.953 -0.775 3.324 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.047 -1.729 2.851 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.998 -0.406 1.585 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.006 -0.445 0.244 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.105 0.031 -0.398 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.224 0.561 0.233 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.193 0.589 1.626 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.073 0.106 2.307 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.372 1.053 -0.504 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.346 1.539 -1.796 0.00 0.00 +0.116 A ATOM 20 N LIG 1 6.627 1.908 -2.095 0.00 0.00 -0.274 N ATOM 21 C LIG 1 7.102 2.479 -3.332 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.492 1.698 -1.088 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.729 1.181 -0.122 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.058 -1.645 0.185 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.236 -2.037 -0.739 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.514 -0.252 0.227 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.051 -0.137 0.081 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -4.563 -0.681 -1.259 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -5.644 5.367 0.830 0.00 0.00 +0.065 C ATOM 30 C LIG 1 -5.245 3.932 0.658 0.00 0.00 +0.038 A ATOM 31 N LIG 1 -4.558 3.609 -0.461 0.00 0.00 -0.260 NA ATOM 32 C LIG 1 -4.200 2.313 -0.617 0.00 0.00 +0.115 A ATOM 33 C LIG 1 -4.491 1.300 0.292 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -5.197 1.667 1.440 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -5.580 2.993 1.627 0.00 0.00 +0.023 A ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8