REMARK Name = BDB035826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.110 1.354 -0.144 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.505 0.202 0.358 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.049 -0.879 0.678 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.940 0.492 0.464 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.957 -0.335 0.907 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.261 0.175 0.912 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.494 1.500 0.466 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.447 2.329 0.021 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.163 1.793 0.030 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.866 2.409 -0.384 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.818 0.640 -0.456 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.431 0.504 -0.193 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.495 1.527 -0.416 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.974 2.740 -0.925 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.329 2.918 -1.200 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.232 1.883 -0.970 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.098 -2.070 -1.135 0.00 0.00 +0.120 C ATOM 18 C LIG 1 4.572 -1.868 -1.028 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.834 -0.575 -0.178 0.00 0.00 +0.060 C ATOM 20 C LIG 1 6.248 -0.558 -0.849 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 4.950 -0.871 1.385 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.180 0.019 2.399 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.369 1.440 2.313 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.223 -0.716 3.544 0.00 0.00 +0.224 A ATOM 25 N LIG 1 5.054 -1.985 3.258 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.882 -2.083 1.899 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 7.970 -2.772 -2.506 0.00 0.00 +0.194 C ATOM 28 O LIG 1 6.575 -2.516 -2.422 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.698 3.732 -0.461 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -3.382 3.887 -1.776 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -4.986 4.145 -0.327 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.938 4.645 0.207 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.419 -0.683 1.370 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.284 -1.014 0.239 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 -5.730 -1.510 -0.458 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.401 -1.850 0.664 0.00 0.00 +0.090 C BRANCH 36 37 ATOM 37 C LIG 1 -8.307 -2.046 -0.505 0.00 0.00 +0.078 C ATOM 38 C LIG 1 -9.461 -1.139 -0.713 0.00 0.00 +0.254 C ATOM 39 F LIG 1 -9.820 -0.730 -1.976 0.00 0.00 -0.205 F ATOM 40 F LIG 1 -9.742 -0.107 0.153 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -9.726 -2.537 -0.291 0.00 0.00 +0.086 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9