REMARK Name = BDB032265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.616 -0.429 1.169 0.00 0.00 +0.138 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.496 0.398 0.332 0.00 0.00 +0.119 A ATOM 3 N LIG 1 -1.037 -0.866 0.248 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 0.272 -1.089 0.513 0.00 0.00 +0.118 A ATOM 5 C LIG 1 1.178 -0.102 0.873 0.00 0.00 -0.012 A ATOM 6 C LIG 1 0.686 1.199 0.971 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.659 1.449 0.702 0.00 0.00 +0.044 A BRANCH 2 8 ATOM 8 N LIG 1 -2.851 0.688 0.098 0.00 0.00 -0.329 N ATOM 9 H LIG 1 -2.909 1.463 -0.557 0.00 0.00 +0.147 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.647 -0.456 -0.344 0.00 0.00 +0.106 C BRANCH 10 15 ATOM 11 C LIG 1 -9.330 0.252 -0.525 0.00 0.00 +0.104 C ATOM 12 N LIG 1 -7.875 0.198 -0.635 0.00 0.00 -0.305 NA ATOM 13 C LIG 1 -7.236 0.830 0.530 0.00 0.00 +0.084 C ATOM 14 C LIG 1 -5.790 0.371 0.768 0.00 0.00 +0.020 C ATOM 15 C LIG 1 -5.110 -0.031 -0.545 0.00 0.00 +0.008 C ATOM 16 C LIG 1 -5.913 -1.160 -1.222 0.00 0.00 +0.020 C ATOM 17 C LIG 1 -7.398 -1.168 -0.836 0.00 0.00 +0.084 C ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 18 ATOM 18 N LIG 1 3.487 0.318 0.270 0.00 0.00 -0.340 N ATOM 19 H LIG 1 3.120 0.360 -0.679 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 4.866 0.103 0.293 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.633 0.563 -0.788 0.00 0.00 +0.033 A ATOM 22 C LIG 1 7.049 0.456 -0.837 0.00 0.00 +0.007 A ATOM 23 C LIG 1 7.718 -0.114 0.270 0.00 0.00 +0.023 A ATOM 24 C LIG 1 9.132 -0.221 0.217 0.00 0.00 +0.124 A ATOM 25 N LIG 1 9.863 0.194 -0.831 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 9.204 0.737 -1.874 0.00 0.00 +0.133 A ATOM 27 C LIG 1 6.945 -0.538 1.374 0.00 0.00 +0.014 A ATOM 28 C LIG 1 7.828 0.890 -1.929 0.00 0.00 +0.067 A ATOM 29 CL LIG 1 7.148 1.604 -3.349 0.00 0.00 -0.081 Cl ATOM 30 C LIG 1 5.550 -0.417 1.387 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 31 N LIG 1 9.865 -0.771 1.279 0.00 0.00 -0.343 N ATOM 32 H LIG 1 9.560 -1.725 1.445 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 9.707 -0.225 2.120 0.00 0.00 +0.144 HD ENDBRANCH 24 31 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 7