REMARK Name = BDB001324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.244 -0.319 3.534 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.579 -0.027 4.445 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -1.108 -0.124 3.429 0.00 0.00 +0.308 C ATOM 4 N LIG 1 -1.735 -0.776 2.404 0.00 0.00 -0.269 N ATOM 5 H LIG 1 -1.230 -1.569 2.038 0.00 0.00 +0.156 HD ATOM 6 O LIG 1 -1.656 0.552 4.296 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 3.312 -1.506 0.865 0.00 0.00 -0.022 A ATOM 8 C LIG 1 2.052 -1.146 0.336 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.028 -0.736 1.222 0.00 0.00 +0.036 A ATOM 10 C LIG 1 1.220 -0.722 2.604 0.00 0.00 +0.035 A ATOM 11 C LIG 1 2.473 -1.068 3.111 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.504 -1.462 2.255 0.00 0.00 +0.007 A BRANCH 8 13 ATOM 13 C LIG 1 1.759 -1.136 -1.153 0.00 0.00 +0.418 C ATOM 14 F LIG 1 2.150 0.008 -1.776 0.00 0.00 -0.166 F ATOM 15 F LIG 1 0.418 -1.242 -1.407 0.00 0.00 -0.166 F ATOM 16 F LIG 1 2.315 -2.175 -1.838 0.00 0.00 -0.166 F ENDBRANCH 8 13 BRANCH 7 17 ATOM 17 C LIG 1 4.475 -1.923 -0.018 0.00 0.00 +0.120 C BRANCH 17 21 ATOM 18 N LIG 1 6.879 0.829 -2.387 0.00 0.00 -0.300 NA ATOM 19 C LIG 1 6.223 -0.341 -3.011 0.00 0.00 +0.100 C ATOM 20 C LIG 1 5.748 -1.423 -2.013 0.00 0.00 +0.100 C ATOM 21 N LIG 1 4.858 -0.878 -0.970 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 5.497 0.280 -0.313 0.00 0.00 +0.100 C ATOM 23 C LIG 1 5.983 1.343 -1.329 0.00 0.00 +0.100 C BRANCH 18 25 ATOM 24 C LIG 1 9.037 1.724 -1.520 0.00 0.00 +0.020 C ATOM 25 C LIG 1 8.225 0.491 -1.903 0.00 0.00 +0.081 C ENDBRANCH 18 25 ENDBRANCH 17 21 ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 4 26 ATOM 26 C LIG 1 -3.076 -0.647 1.994 0.00 0.00 +0.035 A ATOM 27 C LIG 1 -3.930 0.361 2.447 0.00 0.00 +0.027 A ATOM 28 C LIG 1 -5.246 0.439 1.978 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -5.703 -0.482 1.036 0.00 0.00 +0.130 A ATOM 30 C LIG 1 -4.866 -1.500 0.587 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -3.552 -1.574 1.056 0.00 0.00 +0.027 A BRANCH 29 32 ATOM 32 O LIG 1 -7.003 -0.468 0.594 0.00 0.00 -0.438 OA BRANCH 32 33 ATOM 33 C LIG 1 -7.395 0.631 -0.166 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -6.471 1.418 -0.743 0.00 0.00 -0.201 NA ATOM 35 C LIG 1 -6.963 2.433 -1.458 0.00 0.00 +0.227 A ATOM 36 N LIG 1 -8.261 2.707 -1.658 0.00 0.00 -0.221 NA ATOM 37 C LIG 1 -9.144 1.876 -1.086 0.00 0.00 +0.125 A ATOM 38 C LIG 1 -8.752 0.808 -0.311 0.00 0.00 +0.111 A BRANCH 37 39 ATOM 39 N LIG 1 -10.489 2.192 -1.296 0.00 0.00 -0.332 N ATOM 40 H LIG 1 -10.466 3.013 -1.902 0.00 0.00 +0.147 HD ATOM 41 C LIG 1 -11.280 1.120 -1.877 0.00 0.00 +0.127 C ENDBRANCH 37 39 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 4 26 TORSDOF 9