REMARK Name = BDB007578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.512 0.516 -0.982 0.00 0.00 +0.244 C ATOM 2 N LIG 1 0.742 -0.812 -1.266 0.00 0.00 -0.309 N ATOM 3 H LIG 1 0.364 -1.521 -0.648 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.185 1.427 -1.453 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.699 0.245 1.068 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -1.669 -0.055 0.163 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -0.578 0.809 -0.012 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -0.506 1.991 0.728 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.495 2.280 1.664 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -2.569 1.403 1.844 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 -3.721 -0.697 1.244 0.00 0.00 -0.340 N ATOM 12 H LIG 1 -3.854 -1.250 0.393 0.00 0.00 +0.146 HD BRANCH 11 15 ATOM 13 N LIG 1 -6.326 -0.752 -0.151 0.00 0.00 -0.298 NA ATOM 14 C LIG 1 -5.864 0.402 0.631 0.00 0.00 +0.106 C ATOM 15 C LIG 1 -5.043 -0.274 1.740 0.00 0.00 +0.086 C ATOM 16 C LIG 1 -5.871 -1.529 2.048 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -6.775 -1.739 0.832 0.00 0.00 +0.086 C BRANCH 13 19 ATOM 18 C LIG 1 -6.552 0.188 -2.403 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -7.279 -0.484 -1.232 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -8.512 0.341 -0.845 0.00 0.00 +0.024 C ENDBRANCH 13 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 1.857 -1.239 -2.096 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 3.093 -1.645 -1.281 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.728 -2.676 -0.346 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 3.427 -2.640 0.339 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.743 -0.471 -0.514 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 4.880 -0.927 0.329 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 5.288 0.137 1.273 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.477 0.960 0.839 0.00 0.00 -0.030 A ATOM 29 C LIG 1 7.572 0.284 0.274 0.00 0.00 -0.042 A ATOM 30 C LIG 1 8.736 0.980 -0.055 0.00 0.00 +0.004 A ATOM 31 C LIG 1 8.802 2.356 0.162 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.713 3.033 0.714 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.411 -1.194 0.053 0.00 0.00 +0.051 C ATOM 34 C LIG 1 6.554 2.337 1.060 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.997 -1.449 -0.496 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9