REMARK Name = BDB002367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.155 0.186 -1.026 0.00 0.00 +0.241 C ATOM 2 N LIG 1 0.296 -0.537 -1.834 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.526 0.121 -2.862 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.708 -0.966 -3.925 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.724 -2.248 -3.099 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.333 -1.979 -2.038 0.00 0.00 +0.109 C ATOM 7 O LIG 1 1.170 1.422 -1.058 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.907 0.590 -2.344 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.031 0.610 -0.975 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -1.299 0.159 -0.445 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -2.803 0.954 -3.102 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.310 0.776 -0.310 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -3.166 1.603 0.970 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -4.047 1.448 2.055 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.927 2.239 3.201 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.940 3.218 3.276 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.079 3.415 2.200 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.197 2.623 1.056 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.907 -0.619 -0.126 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -3.316 -1.562 0.735 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.857 -2.842 0.868 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.987 -3.200 0.137 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.577 -2.281 -0.730 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.039 -1.000 -0.864 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.018 -0.603 0.002 0.00 0.00 +0.190 C BRANCH 25 26 ATOM 26 C LIG 1 1.233 -0.893 1.272 0.00 0.00 -0.018 A ATOM 27 C LIG 1 1.238 -2.187 1.815 0.00 0.00 +0.006 A ATOM 28 C LIG 1 0.519 -2.475 2.977 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -0.207 -1.472 3.616 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -0.207 -0.179 3.099 0.00 0.00 +0.000 A ATOM 31 C LIG 1 0.513 0.112 1.940 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 4.297 0.131 -0.515 0.00 0.00 +0.231 C ATOM 33 N LIG 1 3.199 0.187 0.318 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.034 1.055 0.810 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 4.388 -0.679 -1.438 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 5.372 1.202 -0.225 0.00 0.00 +0.137 C ATOM 37 C LIG 1 5.069 2.415 -1.105 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 7.804 1.523 -0.285 0.00 0.00 +0.101 C ATOM 39 N LIG 1 6.698 0.598 -0.447 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 6.713 0.179 -1.381 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 9