REMARK Name = BDB000846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.311 1.639 0.068 0.00 0.00 +0.163 C ATOM 2 C LIG 1 0.814 1.339 0.069 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.108 1.608 1.047 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.309 0.729 -1.051 0.00 0.00 -0.281 N ATOM 5 C LIG 1 0.933 0.696 -2.375 0.00 0.00 +0.107 C ATOM 6 C LIG 1 -0.180 0.079 -3.256 0.00 0.00 +0.029 C ATOM 7 C LIG 1 -1.475 0.484 -2.568 0.00 0.00 +0.034 C ATOM 8 C LIG 1 2.273 -0.020 -2.517 0.00 0.00 -0.024 A ATOM 9 C LIG 1 3.222 -0.183 -1.485 0.00 0.00 -0.040 A ATOM 10 C LIG 1 4.426 -0.874 -1.752 0.00 0.00 +0.004 A ATOM 11 C LIG 1 4.732 -1.352 -3.023 0.00 0.00 +0.000 A ATOM 12 C LIG 1 3.839 -1.143 -4.058 0.00 0.00 +0.000 A ATOM 13 C LIG 1 2.635 -0.481 -3.808 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -1.110 0.391 -1.095 0.00 0.00 +0.163 C ATOM 15 C LIG 1 3.049 0.308 -0.063 0.00 0.00 +0.067 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.751 3.018 1.565 0.00 0.00 +0.230 C ATOM 17 N LIG 1 2.601 2.300 1.344 0.00 0.00 -0.302 N ATOM 18 H LIG 1 1.863 2.252 2.041 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 4.635 3.104 0.715 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 3.873 3.631 2.986 0.00 0.00 +0.137 C ATOM 21 C LIG 1 2.681 4.517 3.347 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 5.266 5.626 2.547 0.00 0.00 +0.101 C ATOM 23 N LIG 1 5.187 4.302 3.157 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 5.880 3.709 2.688 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -1.364 -1.017 -0.515 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -2.699 -1.306 -0.318 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -3.405 -0.612 -0.519 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -0.468 -1.822 -0.269 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.132 -2.572 0.256 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -4.460 -2.413 0.983 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -5.478 -3.382 0.873 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -6.684 -3.204 1.570 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.872 -2.099 2.399 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.856 -1.161 2.545 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.318 -4.609 0.007 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -3.865 -4.904 -0.349 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -4.657 -1.321 1.850 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -3.180 -3.640 -0.848 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5