REMARK Name = BDB049765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 0.310 -0.775 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.899 0.827 -0.870 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -3.020 -0.018 -0.896 0.00 0.00 -0.038 A ATOM 4 C LIG 1 -2.819 -1.402 -0.824 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.528 -1.923 -0.729 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.422 -1.070 -0.703 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.388 1.253 -0.761 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.735 0.780 -0.681 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.662 1.992 -0.681 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 5.034 2.450 -3.025 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.037 1.809 -1.699 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.093 1.604 -0.716 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.669 0.932 0.339 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.926 0.758 -0.029 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.216 1.270 -1.268 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.017 0.107 0.690 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.306 -0.004 0.146 0.00 0.00 +0.013 A ATOM 18 C LIG 1 9.330 -0.634 0.858 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.079 -1.162 2.123 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.806 -1.061 2.678 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.782 -0.431 1.966 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -4.416 0.562 -0.972 0.00 0.00 +0.093 C BRANCH 22 23 ATOM 23 C LIG 1 -5.033 0.729 0.377 0.00 0.00 +0.083 A ATOM 24 N LIG 1 -5.712 -0.241 1.107 0.00 0.00 -0.216 N ATOM 25 N LIG 1 -5.849 0.182 2.390 0.00 0.00 -0.060 NA ATOM 26 N LIG 1 -5.457 1.440 2.470 0.00 0.00 -0.122 NA ATOM 27 C LIG 1 -4.945 1.807 1.256 0.00 0.00 +0.193 A BRANCH 24 28 ATOM 28 C LIG 1 -6.251 -1.504 0.737 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -6.392 -2.493 1.725 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -6.912 -3.748 1.401 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.316 -4.018 0.096 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.215 -3.030 -0.881 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.693 -1.772 -0.562 0.00 0.00 +0.028 A ENDBRANCH 24 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.368 3.118 1.018 0.00 0.00 +0.359 C ATOM 35 O LIG 1 -3.941 3.530 -0.053 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.333 3.925 2.103 0.00 0.00 -0.476 OA ATOM 37 H LIG 1 -3.918 4.746 1.773 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10