REMARK Name = BDB030875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.353 0.565 -1.302 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.141 1.888 -1.608 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -1.172 2.285 -1.521 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.184 1.464 -1.180 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -1.881 0.188 -0.923 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -0.637 -0.293 -0.966 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.199 -0.076 1.006 0.00 0.00 +0.050 A ATOM 8 C LIG 1 5.049 -0.840 -0.177 0.00 0.00 +0.100 A ATOM 9 C LIG 1 3.801 -0.703 -0.848 0.00 0.00 +0.061 A ATOM 10 C LIG 1 2.742 0.074 -0.376 0.00 0.00 +0.010 A ATOM 11 C LIG 1 1.673 -0.036 -1.317 0.00 0.00 +0.026 A ATOM 12 C LIG 1 2.083 -0.900 -2.308 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.897 0.744 0.847 0.00 0.00 +0.012 A ATOM 14 N LIG 1 3.358 -1.299 -2.017 0.00 0.00 -0.360 N ATOM 15 H LIG 1 3.897 -1.955 -2.569 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 4.116 0.654 1.522 0.00 0.00 +0.025 A BRANCH 7 18 ATOM 17 C LIG 1 7.673 0.144 1.390 0.00 0.00 +0.404 C ATOM 18 N LIG 1 6.369 -0.001 1.790 0.00 0.00 -0.251 N ATOM 19 H LIG 1 6.270 0.266 2.761 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 8.576 0.240 2.213 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 9.191 0.431 -0.364 0.00 0.00 +0.282 C ATOM 22 O LIG 1 7.836 0.252 0.050 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 6.064 -1.826 -0.697 0.00 0.00 +0.421 C ATOM 24 F LIG 1 6.948 -2.300 0.222 0.00 0.00 -0.166 F ATOM 25 F LIG 1 6.795 -1.344 -1.742 0.00 0.00 -0.166 F ATOM 26 F LIG 1 5.459 -2.949 -1.202 0.00 0.00 -0.166 F ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 C LIG 1 1.212 2.839 -1.992 0.00 0.00 +0.421 C ATOM 28 F LIG 1 2.018 3.178 -0.949 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.720 4.024 -2.460 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.029 2.381 -2.979 0.00 0.00 -0.166 F ENDBRANCH 2 27 BRANCH 5 31 ATOM 31 N LIG 1 -2.862 -0.731 -0.585 0.00 0.00 -0.309 N ATOM 32 H LIG 1 -2.353 -1.509 -0.178 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.970 -0.215 0.220 0.00 0.00 +0.087 C ATOM 34 C LIG 1 -4.490 -1.333 1.157 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -5.680 -0.954 1.926 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -5.977 -1.743 2.500 0.00 0.00 +0.123 HD ATOM 37 C LIG 1 -6.802 -0.493 1.089 0.00 0.00 +0.014 C ATOM 38 C LIG 1 -7.436 -1.664 0.314 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -7.866 0.077 2.044 0.00 0.00 +0.027 C ATOM 40 C LIG 1 -6.341 0.629 0.134 0.00 0.00 +0.023 C ATOM 41 C LIG 1 -5.112 0.251 -0.693 0.00 0.00 +0.025 C ENDBRANCH 31 33 ENDBRANCH 5 31 TORSDOF 7