REMARK Name = BDB035392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.324 0.595 0.163 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.943 1.178 0.048 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.293 2.256 -0.394 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.909 0.209 0.584 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.283 0.324 0.687 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.995 -0.749 1.244 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.297 -1.905 1.667 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.896 -2.007 1.550 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.219 -0.922 1.002 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.243 -0.734 0.754 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.010 1.010 -0.468 0.00 0.00 -0.021 A ATOM 12 C LIG 1 -2.764 0.459 -0.097 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -1.564 1.182 -0.214 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.642 2.490 -0.706 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.869 3.063 -1.050 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.047 2.333 -0.925 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 -5.283 0.164 -0.324 0.00 0.00 +0.156 C BRANCH 17 20 ATOM 18 C LIG 1 -4.965 -0.713 -3.291 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.089 -0.000 -2.745 0.00 0.00 -0.319 N ATOM 20 C LIG 1 -6.279 0.411 -1.444 0.00 0.00 +0.155 A ATOM 21 N LIG 1 -7.434 1.054 -1.393 0.00 0.00 -0.133 NA ATOM 22 N LIG 1 -7.998 1.049 -2.644 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.177 0.417 -3.446 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 N LIG 1 -5.740 0.185 1.081 0.00 0.00 -0.289 NA ATOM 25 C LIG 1 -6.387 1.446 1.502 0.00 0.00 +0.086 C ATOM 26 C LIG 1 -7.391 0.588 2.296 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -7.003 -0.542 1.322 0.00 0.00 +0.086 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.152 -3.233 2.006 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.321 -2.971 3.051 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.360 -3.750 1.025 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.962 -4.249 2.410 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.501 -0.666 1.369 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.122 -0.772 0.050 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.907 -1.688 -0.343 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.561 -0.448 0.064 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.753 1.095 0.086 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.668 1.097 -1.453 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.024 -0.403 -1.423 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.406 -1.311 0.977 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8