REMARK Name = BDB052815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 0.528 -0.030 0.00 0.00 +0.219 A ATOM 2 N LIG 1 0.614 0.737 0.453 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.421 -0.332 0.045 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.628 -1.187 -0.727 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.214 -2.337 -1.298 0.00 0.00 +0.014 A ATOM 6 C LIG 1 2.556 -2.630 -1.046 0.00 0.00 +0.046 A ATOM 7 C LIG 1 3.327 -1.809 -0.229 0.00 0.00 +0.123 A ATOM 8 C LIG 1 2.768 -0.657 0.335 0.00 0.00 +0.072 A ATOM 9 C LIG 1 -0.695 -0.660 -0.738 0.00 0.00 +0.106 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -1.865 -1.200 -1.412 0.00 0.00 +0.252 C ATOM 11 N LIG 1 -2.300 -2.471 -1.019 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -2.067 -2.996 0.333 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -2.250 -4.522 0.408 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -3.534 -4.979 -0.153 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -4.292 -4.559 0.386 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -3.640 -4.510 -1.547 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -3.499 -2.985 -1.683 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -2.420 -0.565 -2.306 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 1.041 1.861 1.227 0.00 0.00 +0.050 A ATOM 20 C LIG 1 2.286 2.455 0.980 0.00 0.00 +0.026 A ATOM 21 C LIG 1 2.695 3.560 1.729 0.00 0.00 +0.002 A ATOM 22 C LIG 1 1.867 4.077 2.724 0.00 0.00 +0.000 A ATOM 23 C LIG 1 0.624 3.495 2.967 0.00 0.00 +0.002 A ATOM 24 C LIG 1 0.208 2.392 2.220 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 O LIG 1 -1.676 1.386 0.191 0.00 0.00 -0.438 OA BRANCH 25 28 ATOM 26 C LIG 1 -3.650 3.167 1.053 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -2.868 3.397 -0.209 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -1.879 2.484 -0.624 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -1.165 2.714 -1.804 0.00 0.00 +0.085 A ATOM 30 C LIG 1 -1.426 3.857 -2.550 0.00 0.00 +0.127 A ATOM 31 F LIG 1 -0.735 4.080 -3.676 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -2.386 4.776 -2.148 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -3.108 4.547 -0.978 0.00 0.00 +0.010 A ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 7 34 ATOM 34 O LIG 1 4.613 -2.243 -0.050 0.00 0.00 -0.481 OA BRANCH 34 35 ATOM 35 C LIG 1 5.471 -1.427 0.738 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 6.860 -2.035 0.801 0.00 0.00 +0.343 C ATOM 37 O LIG 1 7.257 -3.070 0.291 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 7.709 -1.280 1.535 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 8.553 -1.778 1.493 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 8