REMARK Name = BDB065002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.013 0.028 -1.028 0.00 0.00 -0.340 N ATOM 2 H LIG 1 0.392 -0.374 -0.186 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -4.250 0.104 -0.810 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -3.575 0.978 -1.670 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.173 0.974 -1.744 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.404 0.122 -0.944 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -2.088 -0.775 -0.114 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -3.485 -0.772 -0.033 0.00 0.00 +0.013 A BRANCH 3 14 ATOM 9 C LIG 1 -8.898 -0.726 0.659 0.00 0.00 +0.064 A ATOM 10 C LIG 1 -7.732 -0.331 -0.022 0.00 0.00 +0.102 A ATOM 11 C LIG 1 -7.866 0.398 -1.200 0.00 0.00 +0.067 A ATOM 12 N LIG 1 -6.577 0.621 -1.614 0.00 0.00 -0.338 N ATOM 13 H LIG 1 -6.308 1.096 -2.461 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 -5.711 0.070 -0.698 0.00 0.00 +0.139 A ATOM 15 C LIG 1 -9.099 0.760 -1.752 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -10.245 0.359 -1.058 0.00 0.00 +0.003 A ATOM 17 N LIG 1 -6.398 -0.504 0.272 0.00 0.00 -0.227 NA ATOM 18 C LIG 1 -10.153 -0.372 0.128 0.00 0.00 +0.015 A BRANCH 9 22 ATOM 19 N LIG 1 -9.642 -1.124 2.919 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -9.472 -1.573 3.810 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -10.047 -0.199 2.931 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 -8.811 -1.517 1.901 0.00 0.00 +0.244 C ATOM 23 O LIG 1 -8.064 -2.475 2.035 0.00 0.00 -0.270 OA ENDBRANCH 9 22 ENDBRANCH 3 14 ENDBRANCH 1 6 BRANCH 1 24 ATOM 24 C LIG 1 0.757 1.157 -1.529 0.00 0.00 +0.136 C BRANCH 24 25 ATOM 25 C LIG 1 2.230 0.877 -1.334 0.00 0.00 -0.030 A ATOM 26 C LIG 1 2.943 1.485 -0.290 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.302 1.213 -0.106 0.00 0.00 +0.013 A ATOM 28 C LIG 1 4.961 0.318 -0.959 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.256 -0.285 -2.006 0.00 0.00 +0.013 A ATOM 30 C LIG 1 2.897 -0.015 -2.186 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 6.410 0.004 -0.803 0.00 0.00 +0.248 C ATOM 32 N LIG 1 6.859 -0.023 0.499 0.00 0.00 -0.280 N ATOM 33 H LIG 1 6.191 0.073 1.259 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 7.068 -0.234 -1.809 0.00 0.00 -0.270 OA BRANCH 32 35 ATOM 35 C LIG 1 8.174 -0.230 0.964 0.00 0.00 +0.055 A ATOM 36 C LIG 1 8.329 -0.294 2.366 0.00 0.00 +0.046 A ATOM 37 C LIG 1 9.592 -0.543 2.910 0.00 0.00 +0.024 A ATOM 38 C LIG 1 10.706 -0.648 2.076 0.00 0.00 +0.002 A ATOM 39 C LIG 1 10.556 -0.541 0.694 0.00 0.00 +0.002 A ATOM 40 C LIG 1 9.291 -0.338 0.137 0.00 0.00 +0.025 A BRANCH 36 41 ATOM 41 N LIG 1 7.174 -0.342 3.197 0.00 0.00 -0.357 N ATOM 42 H LIG 1 7.412 -0.104 4.158 0.00 0.00 +0.142 HD ATOM 43 H LIG 1 6.806 -1.294 3.183 0.00 0.00 +0.142 HD ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8