REMARK Name = BDB020529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.017 3.534 -1.247 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.414 2.714 -0.023 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.494 1.609 0.194 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.422 1.708 1.042 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.812 0.474 0.982 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -1.480 -0.346 0.106 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -1.148 2.972 1.748 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -2.416 3.600 2.096 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -2.391 4.563 3.182 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.510 0.347 -0.346 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -3.484 3.630 1.202 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -4.451 4.382 1.351 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.380 0.065 1.700 0.00 0.00 +0.011 A ATOM 14 C LIG 1 1.552 -0.364 1.016 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.686 -0.737 1.760 0.00 0.00 +0.072 A ATOM 16 N LIG 1 3.834 -1.131 1.188 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 3.929 -1.190 -0.168 0.00 0.00 +0.083 A ATOM 18 C LIG 1 2.864 -0.884 -1.002 0.00 0.00 +0.044 A ATOM 19 C LIG 1 2.628 -0.692 3.146 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.478 -0.293 3.825 0.00 0.00 +0.003 A ATOM 21 C LIG 1 1.678 -0.449 -0.388 0.00 0.00 +0.022 A ATOM 22 C LIG 1 0.353 0.084 3.102 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.246 -1.591 -0.636 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.019 -2.558 -0.023 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.185 -2.622 -0.725 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.307 -3.490 -0.467 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.244 -1.750 -1.748 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.067 -1.119 -1.685 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 2.915 -0.991 -2.494 0.00 0.00 +0.374 C ATOM 30 F LIG 1 3.569 0.056 -3.071 0.00 0.00 -0.204 F ATOM 31 F LIG 1 3.523 -2.120 -2.949 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -3.557 -0.163 -1.299 0.00 0.00 +0.058 C ATOM 33 C LIG 1 -2.950 -1.115 -2.346 0.00 0.00 +0.026 C ATOM 34 C LIG 1 -3.124 -2.575 -1.938 0.00 0.00 +0.081 C ATOM 35 N LIG 1 -4.530 -2.960 -1.796 0.00 0.00 -0.316 NA ATOM 36 H LIG 1 -4.876 -3.368 -2.663 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -5.412 -1.873 -1.376 0.00 0.00 +0.081 C ATOM 38 C LIG 1 -4.700 -0.833 -0.518 0.00 0.00 +0.026 C ENDBRANCH 10 32 TORSDOF 4