REMARK Name = BDB035345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.032 0.396 0.843 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.307 0.228 -0.501 0.00 0.00 -0.267 N ATOM 3 C LIG 1 1.507 0.626 -1.069 0.00 0.00 +0.056 A ATOM 4 C LIG 1 1.534 0.297 -2.477 0.00 0.00 -0.012 A ATOM 5 C LIG 1 2.610 0.543 -3.234 0.00 0.00 +0.076 A ATOM 6 C LIG 1 3.800 1.198 -2.625 0.00 0.00 +0.252 A ATOM 7 N LIG 1 3.695 1.534 -1.276 0.00 0.00 -0.309 N ATOM 8 O LIG 1 4.785 1.406 -3.329 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 0.212 -0.313 -2.868 0.00 0.00 +0.008 C ATOM 10 C LIG 1 0.359 -1.619 -3.656 0.00 0.00 +0.017 C ATOM 11 C LIG 1 -0.625 0.694 -3.671 0.00 0.00 +0.017 C ATOM 12 C LIG 1 2.563 1.241 -0.520 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -0.438 -0.572 -1.492 0.00 0.00 +0.124 C ATOM 14 O LIG 1 0.753 0.857 1.678 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 -1.468 0.030 1.317 0.00 0.00 +0.162 C BRANCH 15 16 ATOM 16 C LIG 1 -1.823 -1.479 1.265 0.00 0.00 +0.018 C ATOM 17 C LIG 1 -3.152 -1.780 1.988 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -3.484 -3.271 1.998 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -2.353 -4.096 2.596 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.036 -3.825 1.882 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -0.695 -2.336 1.875 0.00 0.00 +0.006 C ENDBRANCH 15 16 BRANCH 15 23 ATOM 22 C LIG 1 -3.473 1.510 1.230 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -2.416 0.883 0.585 0.00 0.00 -0.302 N ATOM 24 H LIG 1 -2.072 1.341 -0.250 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -3.758 1.284 2.402 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -4.228 2.512 0.322 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -3.490 3.849 0.354 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -6.439 1.517 0.562 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -5.627 2.714 0.742 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -6.039 3.482 0.216 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 15 23 ENDBRANCH 1 15 BRANCH 7 31 ATOM 31 C LIG 1 4.837 2.172 -0.621 0.00 0.00 +0.163 C BRANCH 31 32 ATOM 32 C LIG 1 5.705 1.183 0.118 0.00 0.00 +0.008 A ATOM 33 C LIG 1 5.642 1.089 1.512 0.00 0.00 +0.131 A ATOM 34 F LIG 1 4.821 1.896 2.199 0.00 0.00 -0.205 F ATOM 35 C LIG 1 6.418 0.173 2.214 0.00 0.00 +0.077 A ATOM 36 C LIG 1 7.271 -0.662 1.509 0.00 0.00 +0.126 A ATOM 37 F LIG 1 8.024 -1.549 2.172 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.359 -0.594 0.122 0.00 0.00 +0.039 A ATOM 39 C LIG 1 6.575 0.327 -0.576 0.00 0.00 +0.011 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 7