REMARK Name = BDB061635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.939 -0.281 -0.358 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.668 -0.054 0.992 0.00 0.00 +0.172 A ATOM 3 C LIG 1 -1.729 0.907 1.368 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -1.007 1.607 0.390 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.235 1.318 -0.964 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -2.196 0.376 -1.336 0.00 0.00 +0.050 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -3.852 -1.218 -0.740 0.00 0.00 -0.471 OA BRANCH 7 9 ATOM 8 C LIG 1 -6.069 -1.581 0.050 0.00 0.00 +0.067 C ATOM 9 C LIG 1 -5.212 -0.772 -0.933 0.00 0.00 +0.200 C ATOM 10 C LIG 1 -5.511 0.726 -0.755 0.00 0.00 +0.067 C BRANCH 9 11 ATOM 11 C LIG 1 -5.621 -1.155 -2.363 0.00 0.00 +0.348 C ATOM 12 O LIG 1 -6.658 -1.705 -2.707 0.00 0.00 -0.247 OA BRANCH 11 13 ATOM 13 O LIG 1 -4.726 -0.787 -3.307 0.00 0.00 -0.478 OA ATOM 14 H LIG 1 -5.120 -1.114 -4.143 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 9 11 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 15 ATOM 15 O LIG 1 -3.372 -0.713 1.960 0.00 0.00 -0.402 OA BRANCH 15 16 ATOM 16 C LIG 1 -2.691 -1.900 2.354 0.00 0.00 +0.575 C ATOM 17 F LIG 1 -3.467 -2.559 3.245 0.00 0.00 -0.133 F ATOM 18 F LIG 1 -2.457 -2.725 1.314 0.00 0.00 -0.133 F ATOM 19 F LIG 1 -1.522 -1.605 2.965 0.00 0.00 -0.133 F ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 4 20 ATOM 20 C LIG 1 0.042 2.616 0.794 0.00 0.00 +0.184 C BRANCH 20 21 ATOM 21 N LIG 1 1.310 1.987 1.073 0.00 0.00 -0.208 N ATOM 22 C LIG 1 2.305 1.705 0.128 0.00 0.00 +0.351 A ATOM 23 O LIG 1 2.277 2.052 -1.044 0.00 0.00 -0.244 OA ATOM 24 N LIG 1 3.261 0.971 0.815 0.00 0.00 -0.250 N ATOM 25 C LIG 1 2.760 0.851 2.066 0.00 0.00 +0.230 A ATOM 26 N LIG 1 1.615 1.419 2.283 0.00 0.00 -0.157 NA BRANCH 24 27 ATOM 27 C LIG 1 4.478 0.442 0.318 0.00 0.00 +0.052 A ATOM 28 C LIG 1 5.339 -0.300 1.142 0.00 0.00 +0.027 A ATOM 29 C LIG 1 6.545 -0.826 0.655 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.924 -0.630 -0.677 0.00 0.00 +0.055 A ATOM 31 C LIG 1 6.079 0.116 -1.504 0.00 0.00 +0.014 A ATOM 32 C LIG 1 4.875 0.639 -1.013 0.00 0.00 +0.027 A BRANCH 30 33 ATOM 33 C LIG 1 8.232 -1.175 -1.197 0.00 0.00 +0.417 C ATOM 34 F LIG 1 9.264 -0.308 -1.009 0.00 0.00 -0.166 F ATOM 35 F LIG 1 8.604 -2.336 -0.587 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.208 -1.448 -2.531 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 10