REMARK Name = BDB016849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.556 -0.663 -0.932 0.00 0.00 -0.253 N ATOM 2 C LIG 1 0.767 -0.114 0.221 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.589 -0.545 -0.174 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.612 -1.181 -1.367 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -1.864 -1.547 -1.698 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -2.640 -1.133 -0.694 0.00 0.00 +0.114 A ATOM 7 N LIG 1 -1.867 -0.532 0.311 0.00 0.00 -0.326 N ATOM 8 C LIG 1 0.721 -1.286 -1.909 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.011 -1.826 -2.963 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 5.759 -1.347 -3.536 0.00 0.00 +0.046 C ATOM 11 C LIG 1 5.100 -0.930 -2.254 0.00 0.00 -0.019 A ATOM 12 C LIG 1 5.812 -0.484 -1.131 0.00 0.00 +0.116 A ATOM 13 N LIG 1 7.160 -0.331 -0.929 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 7.345 0.122 0.303 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 6.132 0.263 0.866 0.00 0.00 -0.247 N ATOM 16 C LIG 1 6.035 0.757 2.213 0.00 0.00 +0.175 C ATOM 17 C LIG 1 5.126 -0.112 0.016 0.00 0.00 +0.091 A ATOM 18 C LIG 1 3.728 -0.167 0.124 0.00 0.00 +0.053 A ATOM 19 C LIG 1 2.985 -0.604 -0.989 0.00 0.00 +0.040 A ATOM 20 C LIG 1 3.688 -0.976 -2.149 0.00 0.00 +0.029 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 0.876 1.397 0.370 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.746 2.259 -0.734 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.838 3.644 -0.574 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.056 4.182 0.691 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.166 5.887 0.890 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.183 3.348 1.798 0.00 0.00 +0.020 A ATOM 27 C LIG 1 1.093 1.963 1.640 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.135 -1.318 -0.796 0.00 0.00 +0.059 C ATOM 29 C LIG 1 -4.880 -0.036 -1.184 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -6.331 -0.072 -0.714 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -6.867 -1.380 -0.874 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -6.272 -2.355 -0.015 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -4.814 -2.060 0.344 0.00 0.00 +0.039 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.196 -0.029 1.639 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.322 -1.144 2.677 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.318 1.000 1.705 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4