REMARK Name = BDB062511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.137 0.148 -0.349 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.256 0.042 -0.364 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.515 -1.250 -0.791 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.835 -1.705 -0.920 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.888 -0.830 -0.617 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.612 0.474 -0.192 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.354 -1.911 -1.044 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.296 0.937 -0.061 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.642 -1.082 -0.760 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.260 -1.273 -0.735 0.00 0.00 +0.047 A ATOM 11 C LIG 1 5.843 -1.739 -1.894 0.00 0.00 +0.142 A ATOM 12 C LIG 1 5.380 -1.953 -3.279 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.144 -2.049 -1.646 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.442 -1.786 -0.323 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 6.309 -1.325 0.221 0.00 0.00 +0.088 A ATOM 16 C LIG 1 6.272 -0.954 1.655 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -2.075 -1.561 -0.957 0.00 0.00 +0.147 C ATOM 18 N LIG 1 -2.910 -1.552 0.267 0.00 0.00 -0.261 N ATOM 19 C LIG 1 -4.302 -1.356 0.184 0.00 0.00 +0.220 C ATOM 20 O LIG 1 -5.096 -1.483 1.118 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.873 -1.039 -1.180 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -3.946 -0.185 -2.006 0.00 0.00 +0.011 C ATOM 23 C LIG 1 -2.671 -0.957 -2.242 0.00 0.00 +0.031 C BRANCH 18 24 ATOM 24 C LIG 1 -2.367 -2.102 1.498 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -1.331 -3.051 1.500 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -0.821 -3.552 2.698 0.00 0.00 +0.160 A ATOM 27 F LIG 1 0.161 -4.464 2.660 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -1.324 -3.125 3.916 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -0.829 -3.608 5.063 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.347 -2.192 3.951 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -2.862 -1.688 2.751 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.034 3.908 0.464 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -2.332 2.787 1.474 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -1.945 1.381 0.984 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.788 1.414 -0.011 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.108 2.271 -1.250 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -2.131 3.380 -0.969 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -0.464 5.691 0.234 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -0.708 4.381 0.731 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5