REMARK Name = BDB046480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.835 -1.592 -1.219 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -2.531 -0.675 -1.973 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -3.010 -0.841 -3.084 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.587 0.475 -1.189 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -1.978 0.257 0.024 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -1.557 -0.973 -0.056 0.00 0.00 +0.134 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.610 -2.967 -1.625 0.00 0.00 +0.128 C BRANCH 7 9 ATOM 8 C LIG 1 -4.054 -3.702 -1.719 0.00 0.00 +0.005 C ATOM 9 C LIG 1 -2.680 -3.932 -1.106 0.00 0.00 +0.018 C ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 10 ATOM 10 C LIG 1 -3.353 1.660 -1.488 0.00 0.00 +0.184 C BRANCH 10 11 ATOM 11 C LIG 1 -4.777 1.551 -1.002 0.00 0.00 -0.023 A ATOM 12 C LIG 1 -5.120 1.967 0.293 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -6.432 1.856 0.764 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -7.412 1.312 -0.066 0.00 0.00 +0.045 A ATOM 15 C LIG 1 -7.079 0.879 -1.353 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.770 0.993 -1.817 0.00 0.00 +0.005 A BRANCH 13 17 ATOM 17 O LIG 1 -6.621 2.308 2.042 0.00 0.00 -0.495 OA ATOM 18 C LIG 1 -7.938 2.213 2.569 0.00 0.00 +0.277 C ENDBRANCH 13 17 ENDBRANCH 10 11 ENDBRANCH 4 10 BRANCH 6 19 ATOM 19 C LIG 1 -0.781 -1.624 1.054 0.00 0.00 +0.077 C BRANCH 19 20 ATOM 20 C LIG 1 0.726 -1.531 0.819 0.00 0.00 +0.012 C BRANCH 20 21 ATOM 21 C LIG 1 1.261 -0.106 0.997 0.00 0.00 +0.035 C BRANCH 21 22 ATOM 22 C LIG 1 2.758 -0.054 0.814 0.00 0.00 -0.047 A ATOM 23 C LIG 1 3.615 -0.262 1.903 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.000 -0.232 1.729 0.00 0.00 +0.046 A ATOM 25 C LIG 1 5.534 0.032 0.470 0.00 0.00 +0.122 A ATOM 26 C LIG 1 4.695 0.191 -0.629 0.00 0.00 +0.046 A ATOM 27 C LIG 1 3.310 0.161 -0.456 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 O LIG 1 6.887 -0.002 0.290 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 7.584 1.266 0.423 0.00 0.00 +0.200 C ATOM 30 C LIG 1 7.482 1.854 1.833 0.00 0.00 +0.067 C ATOM 31 C LIG 1 7.178 2.279 -0.652 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 9.068 0.919 0.182 0.00 0.00 +0.348 C ATOM 33 O LIG 1 9.987 1.726 0.210 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 9.280 -0.399 -0.073 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 8.418 -0.873 -0.051 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 13