REMARK Name = BDB019928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.869 -1.276 -0.603 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.805 -2.237 -1.002 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -3.139 -2.146 -0.587 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -3.543 -1.073 0.218 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.624 -0.091 0.616 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.287 -0.209 0.202 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -4.107 -3.145 -1.018 0.00 0.00 +0.069 A ATOM 8 N LIG 1 -4.689 -4.101 -0.212 0.00 0.00 -0.261 N ATOM 9 N LIG 1 -5.583 -4.875 -0.869 0.00 0.00 -0.179 NA ATOM 10 C LIG 1 -5.525 -4.437 -2.127 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -4.622 -3.374 -2.280 0.00 0.00 +0.049 A BRANCH 8 12 ATOM 12 C LIG 1 -4.433 -4.359 1.204 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -5.663 -4.043 2.055 0.00 0.00 +0.032 C ATOM 14 C LIG 1 -3.950 -5.792 1.436 0.00 0.00 +0.032 C ENDBRANCH 8 12 ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.494 -0.673 -0.418 0.00 0.00 -0.304 N ATOM 16 H LIG 1 1.258 -0.212 0.446 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.539 -1.407 -1.086 0.00 0.00 +0.245 C ATOM 18 O LIG 1 0.793 -2.152 -2.027 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.901 -0.741 -0.760 0.00 0.00 +0.107 C BRANCH 19 22 ATOM 20 C LIG 1 4.092 2.668 0.572 0.00 0.00 +0.124 A ATOM 21 C LIG 1 3.482 1.412 0.504 0.00 0.00 +0.051 A ATOM 22 C LIG 1 3.549 0.631 -0.662 0.00 0.00 -0.020 A ATOM 23 C LIG 1 4.248 1.148 -1.763 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.867 2.402 -1.706 0.00 0.00 +0.124 A ATOM 25 C LIG 1 4.785 3.161 -0.536 0.00 0.00 +0.091 A BRANCH 20 27 ATOM 26 C LIG 1 4.613 4.546 1.940 0.00 0.00 +0.277 C ATOM 27 O LIG 1 3.931 3.310 1.771 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 24 28 ATOM 28 O LIG 1 5.511 2.766 -2.859 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.229 3.993 -2.841 0.00 0.00 +0.277 C ENDBRANCH 24 28 ENDBRANCH 19 22 BRANCH 19 30 ATOM 30 C LIG 1 3.586 -1.712 0.174 0.00 0.00 +0.014 C ATOM 31 C LIG 1 4.842 -2.435 -0.252 0.00 0.00 +0.006 C ATOM 32 C LIG 1 3.552 -3.195 -0.111 0.00 0.00 +0.006 C ENDBRANCH 19 30 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 33 ATOM 33 C LIG 1 -3.054 1.077 1.483 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -2.780 2.348 0.843 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -1.625 3.100 1.077 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -0.691 2.824 1.916 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 0.029 3.548 1.862 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -1.721 4.170 0.178 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -0.664 5.113 -0.095 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -2.862 4.016 -0.601 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -3.508 2.915 -0.193 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10