REMARK Name = BDB024666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.621 -1.467 0.171 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.591 -0.553 -0.094 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.022 0.791 -0.507 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.077 0.913 -2.034 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.169 1.865 0.158 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.709 1.693 -0.202 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.254 0.263 -0.082 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.868 -0.021 -0.045 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.182 0.863 -0.089 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.282 0.130 -0.051 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.982 -1.229 0.057 0.00 0.00 -0.296 N ATOM 12 C LIG 1 0.406 -1.327 0.035 0.00 0.00 +0.074 A ATOM 13 C LIG 1 1.291 -2.409 0.003 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.663 -2.126 -0.046 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.173 -0.819 -0.053 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.795 -1.268 -0.138 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.896 -2.311 0.197 0.00 0.00 +0.048 A ATOM 18 C LIG 1 -1.615 -3.341 1.105 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -2.510 -4.402 1.260 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -3.682 -4.444 0.508 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.962 -3.425 -0.401 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.073 -2.358 -0.558 0.00 0.00 +0.026 A ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.296 -3.468 1.200 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.236 -2.567 0.876 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.664 0.720 0.024 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -2.651 2.249 0.224 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.007 2.838 -0.163 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -4.099 3.712 -1.260 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.332 4.235 -1.652 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.489 3.894 -0.957 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.414 3.031 0.134 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.183 2.504 0.527 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.217 2.606 1.647 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.965 2.929 2.560 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.877 2.521 1.844 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -0.397 2.131 1.071 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7