REMARK Name = BDB042892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.493 1.736 0.405 0.00 0.00 +0.242 C ATOM 2 C LIG 1 -2.934 1.112 0.320 0.00 0.00 +0.350 C ATOM 3 N LIG 1 -3.858 2.262 0.468 0.00 0.00 -0.137 NA ATOM 4 N LIG 1 -3.598 3.324 -0.148 0.00 0.00 -0.139 NA ATOM 5 C LIG 1 -2.414 3.430 -0.845 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -1.335 2.745 -0.653 0.00 0.00 -0.246 NA ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 3.855 -0.328 0.509 0.00 0.00 -0.298 NA ATOM 8 C LIG 1 2.501 -0.654 1.044 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.973 0.589 0.278 0.00 0.00 +0.010 C ATOM 10 C LIG 1 0.864 1.377 0.947 0.00 0.00 +0.096 C ATOM 11 N LIG 1 -0.378 0.777 0.437 0.00 0.00 -0.276 NA ATOM 12 C LIG 1 -0.068 0.131 -0.847 0.00 0.00 +0.087 C ATOM 13 C LIG 1 1.423 0.337 -1.115 0.00 0.00 +0.026 C ATOM 14 C LIG 1 3.428 1.096 0.418 0.00 0.00 +0.094 C BRANCH 7 15 ATOM 15 C LIG 1 4.912 -0.532 1.522 0.00 0.00 +0.059 C BRANCH 15 17 ATOM 16 C LIG 1 6.202 -2.304 2.875 0.00 0.00 +0.009 C ATOM 17 C LIG 1 5.063 -2.048 1.883 0.00 0.00 -0.000 C ATOM 18 C LIG 1 5.182 -3.013 0.698 0.00 0.00 +0.009 C ENDBRANCH 15 17 BRANCH 15 19 ATOM 19 C LIG 1 6.222 0.188 1.099 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 6.835 -0.227 -0.244 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 7.949 0.749 -0.658 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 8.627 0.477 -1.933 0.00 0.00 -0.308 NA ATOM 23 C LIG 1 7.732 0.591 -3.083 0.00 0.00 +0.104 C ATOM 24 C LIG 1 9.329 -0.802 -1.943 0.00 0.00 +0.104 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 O LIG 1 -3.111 0.369 -0.906 0.00 0.00 -0.462 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.703 -0.860 -0.785 0.00 0.00 +0.136 A ATOM 27 C LIG 1 -4.894 -1.164 -0.110 0.00 0.00 +0.081 A ATOM 28 C LIG 1 -5.332 -2.494 -0.015 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -4.641 -3.494 -0.682 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -5.077 -4.758 -0.615 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -3.514 -3.198 -1.435 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -3.051 -1.882 -1.489 0.00 0.00 +0.049 A BRANCH 27 33 ATOM 33 C LIG 1 -5.701 -0.179 0.619 0.00 0.00 +0.251 C ATOM 34 N LIG 1 -6.677 0.595 -0.028 0.00 0.00 -0.292 N ATOM 35 O LIG 1 -5.476 -0.131 1.829 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -7.426 1.535 0.843 0.00 0.00 +0.070 C ATOM 37 C LIG 1 -7.538 2.952 0.271 0.00 0.00 +0.028 C ATOM 38 C LIG 1 -8.800 0.969 1.204 0.00 0.00 +0.028 C ENDBRANCH 34 36 BRANCH 34 39 ATOM 39 C LIG 1 -7.113 0.482 -1.445 0.00 0.00 +0.070 C ATOM 40 C LIG 1 -7.617 -0.905 -1.844 0.00 0.00 +0.028 C ATOM 41 C LIG 1 -6.091 1.025 -2.441 0.00 0.00 +0.028 C ENDBRANCH 34 39 ENDBRANCH 27 33 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 12