REMARK Name = BDB010670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.446 0.042 -0.303 0.00 0.00 -0.308 N ATOM 2 C LIG 1 0.066 1.353 -0.496 0.00 0.00 +0.116 A ATOM 3 C LIG 1 0.836 1.759 -1.574 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.708 2.945 -2.188 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.248 3.706 -1.653 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.036 3.422 -0.583 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.754 0.815 -1.913 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -0.845 2.242 0.060 0.00 0.00 +0.106 A ATOM 9 C LIG 1 1.583 -0.173 -1.064 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -0.482 5.029 -2.277 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.338 5.889 -1.700 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.859 5.768 -0.850 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.353 6.992 -2.461 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.012 7.995 -2.248 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.504 6.802 -3.520 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.053 5.492 -3.360 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.582 2.051 1.302 0.00 0.00 +0.065 A ATOM 18 C LIG 1 -2.959 2.280 1.410 0.00 0.00 +0.222 A ATOM 19 N LIG 1 -3.678 2.101 2.536 0.00 0.00 -0.219 NA ATOM 20 C LIG 1 -3.004 1.707 3.640 0.00 0.00 +0.134 A ATOM 21 C LIG 1 -1.640 1.482 3.659 0.00 0.00 +0.060 A ATOM 22 CL LIG 1 -0.847 0.983 5.095 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 -0.922 1.662 2.481 0.00 0.00 +0.037 A BRANCH 18 24 ATOM 24 O LIG 1 -3.707 2.706 0.349 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -3.094 3.033 -0.330 0.00 0.00 +0.294 HD ENDBRANCH 18 24 ENDBRANCH 8 17 BRANCH 9 26 ATOM 26 N LIG 1 2.343 -1.299 -0.980 0.00 0.00 -0.289 N ATOM 27 C LIG 1 2.966 -1.735 0.306 0.00 0.00 +0.132 C ATOM 28 C LIG 1 4.327 -2.453 0.067 0.00 0.00 +0.187 C ATOM 29 O LIG 1 5.237 -1.734 -0.778 0.00 0.00 -0.376 OA ATOM 30 C LIG 1 4.626 -1.200 -1.964 0.00 0.00 +0.179 C ATOM 31 C LIG 1 3.161 -1.613 -2.171 0.00 0.00 +0.136 C BRANCH 27 32 ATOM 32 C LIG 1 3.107 -0.653 1.379 0.00 0.00 -0.025 A ATOM 33 C LIG 1 3.737 0.576 1.131 0.00 0.00 +0.005 A ATOM 34 C LIG 1 3.843 1.542 2.134 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.336 1.291 3.405 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.728 0.070 3.679 0.00 0.00 +0.000 A ATOM 37 C LIG 1 2.617 -0.895 2.676 0.00 0.00 +0.005 A ENDBRANCH 27 32 ENDBRANCH 9 26 BRANCH 1 38 ATOM 38 C LIG 1 -0.324 -0.991 0.373 0.00 0.00 +0.128 C BRANCH 38 43 ATOM 39 C LIG 1 -4.348 -4.396 -1.240 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.777 -3.021 -0.896 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -2.901 -2.511 -2.053 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.893 -1.475 -1.570 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -0.895 -2.080 -0.560 0.00 0.00 +0.009 C ATOM 44 C LIG 1 -1.524 -3.224 0.262 0.00 0.00 +0.005 C ATOM 45 C LIG 1 -3.026 -3.042 0.449 0.00 0.00 +0.003 C ENDBRANCH 38 43 ENDBRANCH 1 38 TORSDOF 7