REMARK Name = BDB024475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.634 0.920 2.028 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.046 1.800 1.129 0.00 0.00 -0.310 N ATOM 3 H LIG 1 0.444 1.886 0.203 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.083 0.545 3.056 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.155 0.766 0.798 0.00 0.00 +0.123 A ATOM 6 N LIG 1 4.427 -0.529 1.010 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 3.467 -1.284 1.566 0.00 0.00 +0.224 A ATOM 8 N LIG 1 2.249 -0.870 1.912 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 2.000 0.430 1.663 0.00 0.00 +0.130 A ATOM 10 C LIG 1 2.921 1.296 1.110 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 5.101 1.614 0.210 0.00 0.00 -0.326 N ATOM 12 H LIG 1 5.194 2.456 0.775 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 10.248 -1.748 -2.027 0.00 0.00 +0.109 C ATOM 14 C LIG 1 9.629 -1.649 -0.654 0.00 0.00 +0.212 C ATOM 15 N LIG 1 8.434 -0.948 -0.555 0.00 0.00 -0.302 N ATOM 16 C LIG 1 7.779 -0.838 0.748 0.00 0.00 +0.109 C ATOM 17 C LIG 1 7.258 0.575 0.992 0.00 0.00 +0.041 C ATOM 18 C LIG 1 6.421 1.095 -0.186 0.00 0.00 +0.075 C ATOM 19 C LIG 1 6.337 0.130 -1.372 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.723 -0.405 -1.713 0.00 0.00 +0.109 C ATOM 21 O LIG 1 10.181 -2.174 0.313 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.324 2.239 1.311 0.00 0.00 +0.106 C BRANCH 22 23 ATOM 23 C LIG 1 -2.321 1.222 0.761 0.00 0.00 +0.034 C BRANCH 23 24 ATOM 24 C LIG 1 -3.762 1.683 1.007 0.00 0.00 +0.086 C BRANCH 24 25 ATOM 25 N LIG 1 -4.758 0.841 0.325 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 -6.076 1.524 0.336 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -7.136 0.608 -0.167 0.00 0.00 +0.034 A ATOM 28 N LIG 1 -8.377 0.982 -0.598 0.00 0.00 -0.357 N ATOM 29 H LIG 1 -8.723 1.930 -0.652 0.00 0.00 +0.166 HD ATOM 30 C LIG 1 -9.103 -0.135 -0.957 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -8.285 -1.250 -0.747 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -8.794 -2.529 -1.046 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -10.099 -2.650 -1.538 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -10.892 -1.522 -1.736 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -10.409 -0.241 -1.449 0.00 0.00 +0.026 A ATOM 36 C LIG 1 -7.049 -0.764 -0.247 0.00 0.00 -0.017 A ATOM 37 C LIG 1 -5.795 -1.466 0.136 0.00 0.00 +0.053 C ATOM 38 C LIG 1 -4.863 -0.514 0.934 0.00 0.00 +0.089 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7