REMARK Name = BDB034417 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.403 -0.475 -0.398 0.00 0.00 +0.083 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.745 0.075 -0.182 0.00 0.00 -0.312 NA ATOM 3 H LIG 1 1.994 0.644 -0.993 0.00 0.00 +0.122 HD BRANCH 2 4 ATOM 4 C LIG 1 2.764 -0.964 -0.034 0.00 0.00 +0.116 C BRANCH 4 8 ATOM 5 C LIG 1 6.680 0.830 0.293 0.00 0.00 +0.167 A ATOM 6 C LIG 1 6.335 0.112 -0.860 0.00 0.00 +0.147 A ATOM 7 C LIG 1 5.069 -0.468 -0.961 0.00 0.00 +0.052 A ATOM 8 C LIG 1 4.138 -0.343 0.082 0.00 0.00 -0.030 A ATOM 9 C LIG 1 4.492 0.382 1.229 0.00 0.00 +0.007 A ATOM 10 C LIG 1 5.757 0.967 1.340 0.00 0.00 +0.037 A BRANCH 5 12 ATOM 11 O LIG 1 8.254 2.059 1.479 0.00 0.00 -0.126 OA ATOM 12 N LIG 1 8.000 1.450 0.430 0.00 0.00 +0.060 N ATOM 13 O LIG 1 8.791 1.327 -0.519 0.00 0.00 -0.126 OA ENDBRANCH 5 12 BRANCH 6 14 ATOM 14 O LIG 1 7.149 -0.085 -1.943 0.00 0.00 -0.504 OA ATOM 15 H LIG 1 8.011 0.360 -1.797 0.00 0.00 +0.292 HD ENDBRANCH 6 14 ENDBRANCH 4 8 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 -0.214 -1.039 0.886 0.00 0.00 +0.034 C BRANCH 16 17 ATOM 17 C LIG 1 -1.630 -1.575 0.659 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 N LIG 1 -2.540 -0.482 0.329 0.00 0.00 -0.343 N ATOM 19 H LIG 1 -2.428 0.311 0.958 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.908 -0.731 0.095 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -4.806 0.361 -0.098 0.00 0.00 +0.021 A ATOM 22 C LIG 1 -6.169 0.065 -0.350 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -7.074 1.101 -0.520 0.00 0.00 +0.048 A ATOM 24 C LIG 1 -6.670 2.432 -0.464 0.00 0.00 +0.043 A ATOM 25 C LIG 1 -5.339 2.750 -0.240 0.00 0.00 +0.021 A ATOM 26 CL LIG 1 -7.823 3.689 -0.685 0.00 0.00 -0.083 Cl ATOM 27 N LIG 1 -6.637 -1.187 -0.443 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -5.758 -2.197 -0.315 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -4.413 1.722 -0.061 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -4.410 -2.023 -0.063 0.00 0.00 +0.043 A ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9