REMARK Name = BDB030710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.764 -0.362 0.494 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -2.831 -1.700 0.952 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.659 -2.317 1.406 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -0.443 -1.627 1.415 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.382 -0.302 0.964 0.00 0.00 +0.069 A ATOM 6 C LIG 1 -1.549 0.329 0.501 0.00 0.00 +0.053 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -4.074 -2.376 0.901 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -4.178 -3.225 -0.313 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -5.416 -4.141 -0.212 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -5.337 -5.112 0.903 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -6.675 -5.512 1.330 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.532 -4.585 2.027 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.495 -3.046 2.155 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 N LIG 1 0.847 0.411 0.969 0.00 0.00 -0.219 N ATOM 15 N LIG 1 0.937 1.695 0.540 0.00 0.00 -0.060 NA ATOM 16 N LIG 1 2.194 2.097 0.663 0.00 0.00 -0.124 NA ATOM 17 C LIG 1 2.924 1.059 1.177 0.00 0.00 +0.167 A ATOM 18 C LIG 1 2.088 -0.018 1.376 0.00 0.00 +0.149 A BRANCH 17 19 ATOM 19 C LIG 1 4.351 1.133 1.446 0.00 0.00 +0.266 C ATOM 20 N LIG 1 4.903 2.360 1.148 0.00 0.00 -0.310 N ATOM 21 H LIG 1 4.291 3.058 0.736 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 4.994 0.188 1.891 0.00 0.00 -0.268 OA BRANCH 20 23 ATOM 23 C LIG 1 6.317 2.630 1.279 0.00 0.00 +0.106 C BRANCH 23 24 ATOM 24 C LIG 1 7.100 2.146 0.059 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 8.593 2.463 0.216 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 N LIG 1 9.467 2.062 -0.888 0.00 0.00 -0.298 NA ATOM 27 C LIG 1 9.150 2.676 -2.189 0.00 0.00 +0.112 C ATOM 28 C LIG 1 8.595 1.675 -3.216 0.00 0.00 +0.175 C ATOM 29 O LIG 1 9.479 0.576 -3.472 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 10.297 0.232 -2.344 0.00 0.00 +0.175 C ATOM 31 C LIG 1 9.652 0.605 -0.999 0.00 0.00 +0.112 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 17 19 ENDBRANCH 5 14 BRANCH 1 33 ATOM 32 C LIG 1 -4.250 1.448 -0.449 0.00 0.00 +0.270 C ATOM 33 N LIG 1 -3.983 0.195 0.063 0.00 0.00 -0.279 N ATOM 34 H LIG 1 -4.777 -0.441 0.157 0.00 0.00 +0.155 HD ATOM 35 O LIG 1 -3.427 2.333 -0.631 0.00 0.00 -0.268 OA BRANCH 32 40 ATOM 36 C LIG 1 -8.325 1.868 -1.357 0.00 0.00 +0.235 A ATOM 37 N LIG 1 -7.559 2.959 -1.571 0.00 0.00 -0.198 NA ATOM 38 C LIG 1 -6.236 2.825 -1.276 0.00 0.00 +0.163 A ATOM 39 CL LIG 1 -5.377 4.280 -1.584 0.00 0.00 -0.059 Cl ATOM 40 C LIG 1 -5.700 1.638 -0.784 0.00 0.00 +0.163 A ATOM 41 N LIG 1 -6.487 0.529 -0.569 0.00 0.00 -0.242 NA ATOM 42 C LIG 1 -7.801 0.681 -0.867 0.00 0.00 +0.178 A BRANCH 36 44 ATOM 43 C LIG 1 -10.118 3.161 -2.123 0.00 0.00 +0.279 C ATOM 44 O LIG 1 -9.676 1.901 -1.624 0.00 0.00 -0.479 OA ENDBRANCH 36 44 ENDBRANCH 32 40 ENDBRANCH 1 33 TORSDOF 10