REMARK Name = BDB017560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.375 0.340 2.129 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.657 0.202 1.334 0.00 0.00 -0.031 A ATOM 3 C LIG 1 -2.177 -1.056 1.032 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -3.370 -1.174 0.312 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.116 -0.047 -0.097 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -5.427 -0.318 -0.765 0.00 0.00 +0.045 A ATOM 7 N LIG 1 -6.351 0.716 -0.921 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -6.306 1.375 -0.148 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -7.727 0.446 -1.327 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -7.739 -0.644 -2.388 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -7.024 -1.895 -1.873 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -5.739 -1.571 -1.155 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -4.866 -2.724 -0.825 0.00 0.00 +0.254 A ATOM 14 O LIG 1 -5.128 -3.865 -1.192 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.544 1.228 0.137 0.00 0.00 -0.039 A ATOM 16 C LIG 1 -4.120 2.522 -0.380 0.00 0.00 +0.044 C ATOM 17 N LIG 1 -3.781 -2.462 -0.045 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -3.208 -3.261 0.189 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -2.343 1.332 0.876 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 N LIG 1 3.081 1.459 1.345 0.00 0.00 -0.313 N ATOM 21 C LIG 1 2.663 0.897 2.646 0.00 0.00 +0.122 C ATOM 22 C LIG 1 1.906 -0.445 2.476 0.00 0.00 +0.103 C ATOM 23 N LIG 1 0.751 -0.407 1.548 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 1.214 0.165 0.256 0.00 0.00 +0.103 C ATOM 25 C LIG 1 1.973 1.512 0.364 0.00 0.00 +0.122 C BRANCH 20 29 ATOM 26 C LIG 1 6.690 -0.036 -0.161 0.00 0.00 +0.055 A ATOM 27 C LIG 1 5.490 -0.122 -0.846 0.00 0.00 +0.126 A ATOM 28 N LIG 1 4.311 0.364 -0.381 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 4.284 0.940 0.842 0.00 0.00 +0.121 A ATOM 30 C LIG 1 5.458 1.059 1.591 0.00 0.00 +0.044 A ATOM 31 C LIG 1 6.665 0.562 1.093 0.00 0.00 +0.018 A BRANCH 26 35 ATOM 32 C LIG 1 9.327 -1.023 -2.681 0.00 0.00 +0.128 C ATOM 33 N LIG 1 8.082 -0.619 -2.076 0.00 0.00 -0.314 N ATOM 34 H LIG 1 7.446 -0.078 -2.646 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 7.960 -0.571 -0.701 0.00 0.00 +0.245 C ATOM 36 O LIG 1 8.850 -0.915 0.069 0.00 0.00 -0.270 OA ENDBRANCH 26 35 ENDBRANCH 20 29 ENDBRANCH 1 23 TORSDOF 4