REMARK Name = BDB056118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.808 -0.255 0.417 0.00 0.00 -0.328 N ATOM 2 H LIG 1 2.276 0.644 0.415 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.583 -1.300 -0.075 0.00 0.00 +0.134 A ATOM 4 C LIG 1 3.982 -1.222 -0.182 0.00 0.00 +0.088 A ATOM 5 C LIG 1 4.633 -2.360 -0.630 0.00 0.00 +0.233 A ATOM 6 O LIG 1 5.975 -2.156 -0.651 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 6.218 -0.878 -0.228 0.00 0.00 +0.146 A ATOM 8 N LIG 1 4.080 -3.524 -0.993 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 2.751 -3.486 -0.871 0.00 0.00 +0.227 A ATOM 10 C LIG 1 5.010 -0.256 0.060 0.00 0.00 +0.041 A ATOM 11 N LIG 1 1.990 -2.462 -0.444 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 7.634 -0.508 -0.197 0.00 0.00 +0.018 A ATOM 13 C LIG 1 8.056 0.811 -0.415 0.00 0.00 +0.011 A ATOM 14 C LIG 1 9.413 1.148 -0.374 0.00 0.00 +0.001 A ATOM 15 C LIG 1 10.369 0.169 -0.118 0.00 0.00 +0.000 A ATOM 16 C LIG 1 9.971 -1.148 0.094 0.00 0.00 +0.001 A ATOM 17 C LIG 1 8.614 -1.482 0.053 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 4.879 1.103 0.541 0.00 0.00 -0.014 A ATOM 19 C LIG 1 5.207 1.420 1.863 0.00 0.00 +0.008 A ATOM 20 C LIG 1 5.062 2.729 2.323 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.587 3.723 1.466 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.257 3.411 0.148 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.402 2.103 -0.316 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 0.395 -0.224 0.061 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 -0.449 -1.008 1.072 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 -4.656 -0.828 0.058 0.00 0.00 +0.035 A ATOM 27 C LIG 1 -3.833 -1.826 -0.478 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -2.476 -1.890 -0.146 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -1.918 -0.954 0.731 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -2.737 0.049 1.258 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.095 0.112 0.923 0.00 0.00 +0.023 A BRANCH 26 34 ATOM 32 O LIG 1 -6.936 0.744 1.095 0.00 0.00 -0.252 OA ATOM 33 C LIG 1 -7.038 -0.037 0.159 0.00 0.00 +0.308 C ATOM 34 N LIG 1 -6.011 -0.829 -0.336 0.00 0.00 -0.269 N ATOM 35 H LIG 1 -6.288 -1.585 -0.942 0.00 0.00 +0.156 HD ATOM 36 N LIG 1 -8.200 -0.257 -0.569 0.00 0.00 -0.269 N ATOM 37 H LIG 1 -8.081 -0.726 -1.454 0.00 0.00 +0.156 HD BRANCH 36 38 ATOM 38 C LIG 1 -9.484 0.269 -0.317 0.00 0.00 +0.035 A ATOM 39 C LIG 1 -10.469 0.048 -1.292 0.00 0.00 +0.026 A ATOM 40 C LIG 1 -11.769 0.528 -1.112 0.00 0.00 +0.040 A ATOM 41 C LIG 1 -12.085 1.226 0.045 0.00 0.00 +0.124 A ATOM 42 F LIG 1 -13.331 1.687 0.219 0.00 0.00 -0.205 F ATOM 43 C LIG 1 -11.127 1.449 1.025 0.00 0.00 +0.040 A ATOM 44 C LIG 1 -9.826 0.968 0.845 0.00 0.00 +0.026 A ENDBRANCH 36 38 ENDBRANCH 26 34 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8