REMARK Name = BDB064239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.801 0.616 -0.881 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.616 1.945 -1.244 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.389 2.305 -2.055 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.466 2.929 -0.752 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.521 2.576 0.095 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.746 1.231 0.442 0.00 0.00 -0.027 A ATOM 7 C LIG 1 -1.865 0.253 -0.048 0.00 0.00 +0.021 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 4.408 -2.527 -1.736 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 3.680 -1.698 -1.186 0.00 0.00 +0.233 C ATOM 10 N LIG 1 4.104 -0.938 -0.098 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.119 -0.230 0.713 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.059 0.461 -0.139 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.398 -0.505 -1.008 0.00 0.00 -0.287 N ATOM 14 C LIG 1 0.072 -0.437 -1.421 0.00 0.00 +0.250 C ATOM 15 O LIG 1 -0.437 -1.239 -2.199 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.275 -1.412 -1.748 0.00 0.00 +0.204 C BRANCH 10 17 ATOM 17 C LIG 1 5.396 -1.251 0.509 0.00 0.00 +0.143 C BRANCH 17 18 ATOM 18 C LIG 1 6.191 -0.014 0.855 0.00 0.00 -0.030 A ATOM 19 C LIG 1 6.582 0.879 -0.154 0.00 0.00 +0.005 A ATOM 20 C LIG 1 7.318 2.023 0.158 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.674 2.284 1.480 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.297 1.400 2.490 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.561 0.255 2.181 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -3.888 0.877 1.377 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 N LIG 1 -4.586 -0.362 1.037 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -5.519 -0.413 -0.045 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -6.177 -1.615 -0.333 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -7.100 -1.713 -1.383 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -7.379 -0.597 -2.166 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.736 0.607 -1.897 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.892 -2.801 0.487 0.00 0.00 +0.262 A ATOM 32 O LIG 1 -6.453 -3.874 0.297 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -4.968 -2.634 1.480 0.00 0.00 -0.274 N ATOM 34 H LIG 1 -4.757 -3.445 2.042 0.00 0.00 +0.173 HD ATOM 35 C LIG 1 -5.815 0.700 -0.846 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -4.301 -1.487 1.798 0.00 0.00 +0.330 A ATOM 37 O LIG 1 -3.491 -1.500 2.724 0.00 0.00 -0.246 OA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5