REMARK Name = BDB000758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.760 1.011 0.446 0.00 0.00 +0.216 A ATOM 2 N LIG 1 3.601 1.625 0.240 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 2.504 0.877 0.202 0.00 0.00 +0.186 A ATOM 4 C LIG 1 2.516 -0.510 0.357 0.00 0.00 +0.148 A ATOM 5 N LIG 1 1.382 -1.267 0.304 0.00 0.00 -0.238 NA ATOM 6 C LIG 1 0.208 -0.614 0.112 0.00 0.00 +0.098 A ATOM 7 C LIG 1 0.192 0.774 -0.067 0.00 0.00 +0.099 A ATOM 8 C LIG 1 3.789 -1.038 0.547 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.344 1.504 -0.007 0.00 0.00 -0.224 NA ATOM 10 N LIG 1 4.909 -0.302 0.587 0.00 0.00 -0.198 NA ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.009 1.586 -0.346 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -1.250 2.764 0.386 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -2.381 3.538 0.133 0.00 0.00 +0.117 A ATOM 14 C LIG 1 -3.291 3.169 -0.847 0.00 0.00 +0.045 A ATOM 15 C LIG 1 -3.062 2.020 -1.598 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.927 1.240 -1.355 0.00 0.00 +0.010 A BRANCH 13 17 ATOM 17 O LIG 1 -2.630 4.680 0.836 0.00 0.00 -0.507 OA ATOM 18 H LIG 1 -1.869 4.858 1.414 0.00 0.00 +0.292 HD ENDBRANCH 13 17 ENDBRANCH 7 11 BRANCH 6 19 ATOM 19 C LIG 1 -0.976 -1.488 0.146 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -1.053 -2.613 -0.692 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -2.171 -3.442 -0.669 0.00 0.00 +0.117 A ATOM 22 C LIG 1 -3.234 -3.184 0.188 0.00 0.00 +0.045 A ATOM 23 C LIG 1 -3.171 -2.083 1.039 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -2.051 -1.245 1.022 0.00 0.00 +0.010 A BRANCH 21 25 ATOM 25 O LIG 1 -2.185 -4.510 -1.517 0.00 0.00 -0.507 OA ATOM 26 H LIG 1 -3.001 -5.015 -1.366 0.00 0.00 +0.292 HD ENDBRANCH 21 25 ENDBRANCH 6 19 BRANCH 1 27 ATOM 27 N LIG 1 5.896 1.789 0.479 0.00 0.00 -0.327 N ATOM 28 H LIG 1 6.713 1.246 0.239 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 5.749 2.661 -0.010 0.00 0.00 +0.145 HD ENDBRANCH 1 27 BRANCH 8 30 ATOM 30 N LIG 1 3.962 -2.410 0.790 0.00 0.00 -0.341 N ATOM 31 H LIG 1 3.381 -2.980 0.184 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 4.950 -2.640 0.783 0.00 0.00 +0.144 HD ENDBRANCH 8 30 TORSDOF 6