REMARK Name = BDB011430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.466 -1.148 -0.678 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -1.547 -0.756 0.299 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.303 -0.918 -0.240 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.097 -0.670 0.178 0.00 0.00 +0.159 C ATOM 5 N LIG 1 1.825 -1.198 -1.030 0.00 0.00 -0.253 N ATOM 6 C LIG 1 0.916 -1.643 -2.036 0.00 0.00 +0.254 C ATOM 7 O LIG 1 1.130 -2.128 -3.134 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.397 -1.446 -1.488 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.747 -1.603 -1.788 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.220 -1.284 -1.098 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.015 -1.076 -0.028 0.00 0.00 +0.112 A ATOM 12 N LIG 1 5.398 -1.162 -0.080 0.00 0.00 -0.315 N ATOM 13 C LIG 1 6.155 -0.927 1.141 0.00 0.00 +0.152 C ATOM 14 C LIG 1 6.088 -1.485 -1.252 0.00 0.00 +0.270 A ATOM 15 O LIG 1 7.310 -1.587 -1.315 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 5.221 -1.699 -2.451 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 5.982 -2.058 -3.954 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 3.887 -1.598 -2.354 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 -4.679 0.043 -0.816 0.00 0.00 +0.227 A ATOM 20 C LIG 1 -3.920 -1.089 -0.559 0.00 0.00 +0.078 A ATOM 21 C LIG 1 -4.658 -2.213 -0.240 0.00 0.00 +0.127 A ATOM 22 N LIG 1 -6.002 -2.231 -0.129 0.00 0.00 -0.243 NA ATOM 23 C LIG 1 -6.619 -1.067 -0.377 0.00 0.00 +0.225 A ATOM 24 N LIG 1 -6.025 0.085 -0.718 0.00 0.00 -0.201 NA BRANCH 19 26 ATOM 25 C LIG 1 -4.861 2.283 -1.504 0.00 0.00 +0.279 C ATOM 26 O LIG 1 -4.002 1.193 -1.187 0.00 0.00 -0.479 OA ENDBRANCH 19 26 ENDBRANCH 1 20 BRANCH 4 27 ATOM 27 C LIG 1 1.370 0.802 0.455 0.00 0.00 -0.021 A ATOM 28 C LIG 1 1.677 1.225 1.760 0.00 0.00 +0.007 A ATOM 29 C LIG 1 1.915 2.574 2.036 0.00 0.00 +0.019 A ATOM 30 C LIG 1 1.847 3.524 1.012 0.00 0.00 +0.052 A ATOM 31 C LIG 1 1.540 3.118 -0.288 0.00 0.00 +0.019 A ATOM 32 C LIG 1 1.302 1.768 -0.564 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 C LIG 1 2.087 4.908 1.299 0.00 0.00 +0.099 C ATOM 34 N LIG 1 2.279 6.027 1.540 0.00 0.00 -0.191 NA ENDBRANCH 30 33 ENDBRANCH 4 27 BRANCH 2 35 ATOM 35 C LIG 1 -1.795 -0.279 1.660 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -2.669 -1.211 2.499 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -2.295 1.163 1.704 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6