REMARK Name = BDB038960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.391 -0.838 1.733 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.397 -1.405 0.956 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.150 -0.661 0.823 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.015 -1.438 0.202 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.185 -2.758 -0.272 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.108 -3.463 -0.823 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.844 -2.881 -0.956 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.688 -1.564 -0.509 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.375 -0.680 -0.489 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.053 0.483 0.135 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.333 0.399 0.434 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.524 -3.437 -0.123 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.739 -0.854 0.063 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.666 -2.426 -0.050 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.234 0.161 2.426 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.816 1.685 0.418 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.922 2.593 -0.824 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -0.003 3.810 -0.742 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -0.305 4.685 0.486 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -0.837 3.883 1.682 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.323 2.449 1.666 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -1.298 5.773 0.141 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.219 5.700 -0.656 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -1.101 6.896 0.858 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -1.803 7.506 0.549 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.619 -0.960 2.446 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.571 -1.512 1.649 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.719 -0.923 -1.021 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.700 -1.239 -2.522 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.467 -1.974 -0.178 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.960 -1.984 -0.424 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -4.776 -0.982 0.136 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.154 -0.971 -0.099 0.00 0.00 +0.155 A ATOM 34 C LIG 1 -6.705 -1.977 -0.897 0.00 0.00 +0.165 A ATOM 35 F LIG 1 -8.025 -1.996 -1.143 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -5.913 -2.976 -1.455 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -4.540 -2.981 -1.220 0.00 0.00 +0.007 A BRANCH 33 38 ATOM 38 O LIG 1 -7.038 -0.047 0.389 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 -6.512 0.999 1.194 0.00 0.00 +0.277 C ENDBRANCH 33 38 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8