REMARK Name = BDB049793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.258 -0.290 -0.012 0.00 0.00 +0.195 A ATOM 2 N LIG 1 -3.831 -1.360 -0.659 0.00 0.00 -0.334 N ATOM 3 H LIG 1 -3.329 -2.160 -1.016 0.00 0.00 +0.168 HD ATOM 4 C LIG 1 -5.191 -1.188 -0.679 0.00 0.00 +0.070 A ATOM 5 C LIG 1 -5.403 0.012 -0.005 0.00 0.00 +0.102 A ATOM 6 C LIG 1 -6.723 0.483 0.160 0.00 0.00 +0.067 A ATOM 7 C LIG 1 -7.779 -0.279 -0.368 0.00 0.00 +0.053 A ATOM 8 C LIG 1 -7.521 -1.473 -1.032 0.00 0.00 +0.126 A ATOM 9 F LIG 1 -8.547 -2.181 -1.523 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -6.226 -1.963 -1.206 0.00 0.00 +0.066 A ATOM 11 N LIG 1 -4.196 0.544 0.403 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -7.026 1.748 0.868 0.00 0.00 +0.244 C ATOM 13 O LIG 1 -8.178 2.149 0.985 0.00 0.00 -0.270 OA ATOM 14 N LIG 1 -5.977 2.448 1.387 0.00 0.00 -0.325 N ATOM 15 H LIG 1 -5.019 2.108 1.315 0.00 0.00 +0.145 HD ATOM 16 H LIG 1 -6.158 3.301 1.896 0.00 0.00 +0.145 HD ENDBRANCH 6 12 BRANCH 1 19 ATOM 17 N LIG 1 -1.008 -0.697 -0.713 0.00 0.00 -0.306 N ATOM 18 H LIG 1 -1.412 -0.923 -1.611 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -1.835 -0.099 0.229 0.00 0.00 +0.280 C ATOM 20 O LIG 1 -1.388 0.550 1.169 0.00 0.00 -0.267 OA BRANCH 17 24 ATOM 21 N LIG 1 3.004 0.325 0.511 0.00 0.00 -0.302 NA ATOM 22 C LIG 1 1.878 1.255 0.334 0.00 0.00 +0.086 C ATOM 23 C LIG 1 0.950 0.867 -0.816 0.00 0.00 +0.037 C ATOM 24 C LIG 1 0.450 -0.579 -0.678 0.00 0.00 +0.076 C ATOM 25 C LIG 1 1.070 -1.302 0.523 0.00 0.00 +0.037 C ATOM 26 C LIG 1 2.585 -1.085 0.536 0.00 0.00 +0.086 C BRANCH 21 27 ATOM 27 C LIG 1 4.108 0.595 -0.427 0.00 0.00 +0.090 C BRANCH 27 29 ATOM 28 C LIG 1 6.550 0.748 -0.981 0.00 0.00 +0.012 C ATOM 29 C LIG 1 5.543 0.244 0.076 0.00 0.00 -0.025 C ATOM 30 C LIG 1 5.766 -1.265 0.255 0.00 0.00 +0.012 C ATOM 31 C LIG 1 5.837 0.958 1.408 0.00 0.00 +0.012 C ENDBRANCH 27 29 ENDBRANCH 21 27 ENDBRANCH 17 24 ENDBRANCH 1 19 TORSDOF 5