REMARK Name = BDB054055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.287 -0.716 0.224 0.00 0.00 -0.241 N ATOM 2 C LIG 1 1.555 -1.909 0.435 0.00 0.00 +0.077 A ATOM 3 C LIG 1 0.273 -1.552 0.868 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -0.701 -2.488 1.167 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.372 -3.847 1.041 0.00 0.00 +0.057 A ATOM 6 C LIG 1 0.924 -4.211 0.609 0.00 0.00 +0.014 A ATOM 7 N LIG 1 0.204 -0.156 0.924 0.00 0.00 -0.287 N ATOM 8 C LIG 1 1.895 -3.245 0.310 0.00 0.00 +0.029 A ATOM 9 C LIG 1 1.438 0.386 0.499 0.00 0.00 +0.336 A ATOM 10 O LIG 1 1.653 1.582 0.378 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.838 2.001 -0.716 0.00 0.00 +0.124 A ATOM 12 C LIG 1 6.802 0.677 -1.159 0.00 0.00 +0.095 A ATOM 13 C LIG 1 5.637 -0.045 -0.908 0.00 0.00 +0.173 A ATOM 14 C LIG 1 4.511 0.449 -0.269 0.00 0.00 +0.066 A ATOM 15 C LIG 1 3.592 -0.662 -0.263 0.00 0.00 +0.192 A ATOM 16 N LIG 1 4.188 -1.731 -0.823 0.00 0.00 -0.059 NA ATOM 17 C LIG 1 4.582 1.779 0.193 0.00 0.00 +0.019 A ATOM 18 O LIG 1 5.434 -1.339 -1.238 0.00 0.00 -0.352 OA ATOM 19 C LIG 1 5.742 2.542 -0.043 0.00 0.00 +0.046 A BRANCH 11 21 ATOM 20 C LIG 1 8.096 4.019 -0.605 0.00 0.00 +0.277 C ATOM 21 O LIG 1 8.008 2.654 -0.995 0.00 0.00 -0.495 OA ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 5 22 ATOM 22 C LIG 1 -1.400 -4.914 1.334 0.00 0.00 +0.417 C ATOM 23 F LIG 1 -2.397 -4.484 2.156 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -0.865 -6.009 1.943 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -2.010 -5.371 0.207 0.00 0.00 -0.166 F ENDBRANCH 5 22 BRANCH 7 26 ATOM 26 C LIG 1 -0.962 0.627 1.249 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 C LIG 1 -1.980 0.669 0.133 0.00 0.00 -0.024 A ATOM 28 C LIG 1 -3.273 0.162 0.327 0.00 0.00 +0.051 A ATOM 29 C LIG 1 -4.203 0.208 -0.711 0.00 0.00 +0.122 A ATOM 30 C LIG 1 -3.860 0.722 -1.957 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.583 1.241 -2.155 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -1.651 1.223 -1.115 0.00 0.00 +0.005 A BRANCH 29 33 ATOM 33 O LIG 1 -5.449 -0.323 -0.521 0.00 0.00 -0.478 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.350 0.646 0.033 0.00 0.00 +0.278 C ATOM 35 C LIG 1 -7.241 -0.097 1.022 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 -7.213 1.298 -1.048 0.00 0.00 +0.346 C ATOM 37 O LIG 1 -7.221 1.061 -2.245 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.026 2.259 -0.554 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -8.499 2.591 -1.346 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 9