REMARK Name = BDB063162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.774 0.202 -1.798 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -0.192 -0.793 -2.002 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -1.448 -0.704 -1.393 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.782 0.384 -0.572 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -0.817 1.385 -0.386 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.440 1.299 -0.995 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.103 0.473 0.072 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -3.222 0.659 1.456 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -4.479 0.743 2.064 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -5.648 0.644 1.307 0.00 0.00 +0.130 A ATOM 11 C LIG 1 -5.545 0.460 -0.070 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.285 0.376 -0.678 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 O LIG 1 -6.801 0.743 2.031 0.00 0.00 -0.406 OA BRANCH 13 14 ATOM 14 C LIG 1 -8.029 0.649 1.333 0.00 0.00 +0.575 C ATOM 15 F LIG 1 -9.042 0.766 2.220 0.00 0.00 -0.133 F ATOM 16 F LIG 1 -8.153 1.640 0.424 0.00 0.00 -0.133 F ATOM 17 F LIG 1 -8.151 -0.547 0.716 0.00 0.00 -0.133 F ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 2.114 0.104 -2.495 0.00 0.00 +0.136 C BRANCH 18 19 ATOM 19 N LIG 1 3.209 0.670 -1.709 0.00 0.00 -0.340 N ATOM 20 H LIG 1 3.846 1.217 -2.282 0.00 0.00 +0.146 HD BRANCH 19 23 ATOM 21 C LIG 1 5.801 -0.255 0.771 0.00 0.00 +0.063 A ATOM 22 C LIG 1 5.103 0.404 -0.254 0.00 0.00 +0.038 A ATOM 23 C LIG 1 3.876 -0.079 -0.738 0.00 0.00 +0.031 A ATOM 24 C LIG 1 3.338 -1.209 -0.117 0.00 0.00 +0.061 A ATOM 25 C LIG 1 4.034 -1.862 0.900 0.00 0.00 +0.126 A ATOM 26 F LIG 1 3.498 -2.955 1.462 0.00 0.00 -0.205 F ATOM 27 C LIG 1 5.263 -1.404 1.348 0.00 0.00 +0.053 A BRANCH 21 29 ATOM 28 O LIG 1 7.643 1.291 0.743 0.00 0.00 -0.245 OA ATOM 29 C LIG 1 7.099 0.307 1.209 0.00 0.00 +0.337 C BRANCH 29 30 ATOM 30 O LIG 1 7.658 -0.392 2.211 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 8.493 0.086 2.398 0.00 0.00 +0.295 HD ENDBRANCH 29 30 ENDBRANCH 21 29 ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 8