REMARK Name = BDB061199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.535 -0.985 0.846 0.00 0.00 +0.015 A ATOM 2 C LIG 1 -0.121 -1.850 -0.177 0.00 0.00 +0.062 A ATOM 3 C LIG 1 1.233 -2.167 -0.313 0.00 0.00 +0.047 A ATOM 4 C LIG 1 1.634 -3.034 -1.420 0.00 0.00 +0.144 A ATOM 5 N LIG 1 0.809 -3.568 -2.265 0.00 0.00 -0.179 NA ATOM 6 N LIG 1 -0.509 -3.284 -2.106 0.00 0.00 -0.243 N ATOM 7 H LIG 1 -1.146 -3.700 -2.780 0.00 0.00 +0.192 HD ATOM 8 C LIG 1 2.175 -1.637 0.570 0.00 0.00 +0.128 A ATOM 9 N LIG 1 1.786 -0.812 1.558 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -1.059 -2.460 -1.150 0.00 0.00 +0.273 A ATOM 11 O LIG 1 -2.266 -2.257 -1.122 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 0.473 -0.504 1.676 0.00 0.00 +0.122 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -1.736 1.407 -0.493 0.00 0.00 +0.066 C ATOM 14 C LIG 1 -2.497 0.567 0.494 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -1.918 -0.564 1.099 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -2.710 -1.282 2.007 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -4.015 -0.878 2.274 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -4.507 0.244 1.621 0.00 0.00 +0.126 A ATOM 19 N LIG 1 -3.764 0.981 0.756 0.00 0.00 -0.247 NA BRANCH 18 20 ATOM 20 C LIG 1 -5.898 0.710 1.940 0.00 0.00 +0.264 C ATOM 21 N LIG 1 -6.655 1.390 0.979 0.00 0.00 -0.302 N ATOM 22 C LIG 1 -7.887 2.041 1.385 0.00 0.00 +0.132 C ATOM 23 C LIG 1 -6.277 1.530 -0.419 0.00 0.00 +0.132 C ATOM 24 O LIG 1 -6.335 0.469 3.068 0.00 0.00 -0.268 OA ENDBRANCH 18 20 ENDBRANCH 1 15 BRANCH 8 25 ATOM 25 N LIG 1 3.538 -1.957 0.444 0.00 0.00 -0.324 N ATOM 26 H LIG 1 3.653 -2.957 0.592 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 4.460 -1.210 1.308 0.00 0.00 +0.141 C BRANCH 27 28 ATOM 28 C LIG 1 4.687 0.200 0.832 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.000 0.526 -0.486 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.105 -0.335 -1.690 0.00 0.00 +0.080 C ATOM 31 C LIG 1 5.772 0.654 -2.645 0.00 0.00 +0.234 C ATOM 32 O LIG 1 5.489 2.000 -2.202 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 5.205 1.847 -0.869 0.00 0.00 +0.124 A ATOM 34 C LIG 1 5.115 2.897 0.021 0.00 0.00 +0.049 A ATOM 35 C LIG 1 4.829 2.595 1.351 0.00 0.00 +0.042 A ATOM 36 C LIG 1 4.627 1.264 1.744 0.00 0.00 +0.129 A ATOM 37 F LIG 1 4.376 1.018 3.038 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 8 25 TORSDOF 5