REMARK Name = BDB062508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.197 -0.740 -0.725 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -1.509 0.457 -0.959 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.202 0.451 -1.454 0.00 0.00 +0.125 A ATOM 4 C LIG 1 0.428 -0.768 -1.695 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -0.237 -1.975 -1.452 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -1.545 -1.957 -0.965 0.00 0.00 +0.053 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.526 0.098 -0.555 0.00 0.00 +0.008 C ATOM 8 C LIG 1 -3.564 -0.761 -0.182 0.00 0.00 +0.009 C BRANCH 7 12 ATOM 9 C LIG 1 -8.536 0.133 0.969 0.00 0.00 +0.120 A ATOM 10 C LIG 1 -7.857 1.323 0.714 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -6.545 1.295 0.221 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -5.891 0.079 -0.011 0.00 0.00 -0.025 A ATOM 13 C LIG 1 -6.584 -1.112 0.232 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -7.893 -1.082 0.723 0.00 0.00 +0.046 A BRANCH 9 16 ATOM 15 C LIG 1 -10.503 1.230 1.726 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -9.811 0.019 1.447 0.00 0.00 -0.495 OA ENDBRANCH 9 16 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 5 17 ATOM 17 O LIG 1 0.502 -3.094 -1.730 0.00 0.00 -0.495 OA ATOM 18 C LIG 1 -0.115 -4.352 -1.482 0.00 0.00 +0.277 C ENDBRANCH 5 17 BRANCH 3 19 ATOM 19 O LIG 1 0.340 1.694 -1.634 0.00 0.00 -0.487 OA BRANCH 19 20 ATOM 20 C LIG 1 1.615 1.801 -2.273 0.00 0.00 +0.264 C BRANCH 20 21 ATOM 21 C LIG 1 2.769 1.629 -1.313 0.00 0.00 -0.007 A ATOM 22 C LIG 1 2.711 2.140 -0.012 0.00 0.00 +0.049 A ATOM 23 C LIG 1 3.799 1.994 0.846 0.00 0.00 +0.165 A ATOM 24 F LIG 1 3.700 2.490 2.090 0.00 0.00 -0.202 F ATOM 25 C LIG 1 4.970 1.343 0.444 0.00 0.00 +0.157 A ATOM 26 C LIG 1 5.040 0.857 -0.859 0.00 0.00 +0.049 A ATOM 27 C LIG 1 3.951 1.001 -1.730 0.00 0.00 +0.011 A BRANCH 25 28 ATOM 28 O LIG 1 5.954 1.282 1.387 0.00 0.00 -0.472 OA BRANCH 28 29 ATOM 29 C LIG 1 7.029 0.340 1.327 0.00 0.00 +0.200 C ATOM 30 C LIG 1 6.505 -1.105 1.313 0.00 0.00 +0.067 C ATOM 31 C LIG 1 7.781 0.557 2.654 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 8.067 0.602 0.219 0.00 0.00 +0.348 C ATOM 33 O LIG 1 8.171 1.600 -0.477 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 8.954 -0.405 0.058 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 9.557 -0.076 -0.641 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 11