REMARK Name = BDB019378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.054 -1.371 -0.106 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.635 -2.533 -0.768 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.802 -2.606 -1.505 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -3.243 -3.676 -1.921 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 -0.903 -3.745 -0.444 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.385 -3.258 0.214 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.065 -1.969 0.898 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.021 0.790 -0.504 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -0.091 0.908 0.494 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.304 -0.430 -1.069 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.012 -0.739 -2.214 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 0.929 1.701 -1.168 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 4.944 0.982 0.281 0.00 0.00 -0.010 A ATOM 14 C LIG 1 4.149 1.982 0.857 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.856 2.224 0.385 0.00 0.00 +0.006 A ATOM 16 C LIG 1 2.338 1.477 -0.680 0.00 0.00 -0.030 A ATOM 17 C LIG 1 3.132 0.476 -1.256 0.00 0.00 +0.006 A ATOM 18 C LIG 1 4.424 0.233 -0.781 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 7.470 2.994 0.369 0.00 0.00 +0.067 C ATOM 20 C LIG 1 7.395 1.587 0.844 0.00 0.00 +0.053 A ATOM 21 C LIG 1 6.296 0.740 0.780 0.00 0.00 +0.042 A ATOM 22 S LIG 1 6.711 -0.792 1.442 0.00 0.00 -0.075 S ATOM 23 C LIG 1 8.290 -0.213 1.759 0.00 0.00 +0.156 A ATOM 24 N LIG 1 8.532 1.030 1.413 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 25 ATOM 25 C LIG 1 -3.507 -1.300 -1.894 0.00 0.00 +0.114 C ATOM 26 C LIG 1 -3.033 -0.680 -3.209 0.00 0.00 +0.038 C ATOM 27 C LIG 1 -4.366 -1.349 -3.163 0.00 0.00 +0.038 C BRANCH 25 28 ATOM 28 N LIG 1 -4.015 -0.468 -0.817 0.00 0.00 -0.279 N ATOM 29 C LIG 1 -4.634 -0.953 0.330 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -4.815 -2.100 0.685 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -5.026 0.220 1.121 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -4.651 1.365 0.421 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -4.898 2.619 0.950 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -5.526 2.695 2.199 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.897 1.529 2.896 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.646 0.268 2.355 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -4.015 0.983 -0.873 0.00 0.00 +0.145 C ENDBRANCH 25 28 ENDBRANCH 3 25 BRANCH 6 38 ATOM 38 O LIG 1 0.896 -4.179 1.162 0.00 0.00 -0.390 OA ATOM 39 H LIG 1 1.731 -3.817 1.504 0.00 0.00 +0.210 HD ENDBRANCH 6 38 TORSDOF 7