REMARK Name = BDB022004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.036 0.892 -1.911 0.00 0.00 +0.078 C ATOM 2 C LIG 1 1.310 1.516 -0.705 0.00 0.00 +0.032 C ATOM 3 C LIG 1 -0.182 1.191 -0.697 0.00 0.00 +0.109 C ATOM 4 N LIG 1 -0.832 1.652 -1.927 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -2.120 2.184 -2.001 0.00 0.00 +0.252 C ATOM 6 O LIG 1 -2.552 2.719 -3.019 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.046 1.605 -3.155 0.00 0.00 +0.109 C ATOM 8 C LIG 1 1.076 0.580 -3.071 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -2.949 2.107 -0.818 0.00 0.00 +0.099 A ATOM 10 C LIG 1 -3.502 1.005 -0.181 0.00 0.00 +0.153 A ATOM 11 N LIG 1 -4.253 1.497 0.880 0.00 0.00 -0.215 N ATOM 12 N LIG 1 -3.965 2.814 1.096 0.00 0.00 -0.172 NA ATOM 13 C LIG 1 -3.302 3.192 0.005 0.00 0.00 +0.150 A BRANCH 11 14 ATOM 14 C LIG 1 -5.311 0.907 1.635 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -6.064 -0.164 1.138 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -7.106 -0.704 1.898 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -7.414 -0.168 3.147 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.692 0.918 3.636 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -5.651 1.462 2.880 0.00 0.00 +0.028 A ENDBRANCH 11 14 BRANCH 10 20 ATOM 20 N LIG 1 -3.313 -0.342 -0.496 0.00 0.00 -0.307 N ATOM 21 C LIG 1 -3.045 -0.868 -1.746 0.00 0.00 +0.092 A ATOM 22 C LIG 1 -2.861 -2.229 -1.643 0.00 0.00 +0.019 A ATOM 23 C LIG 1 -3.003 -2.566 -0.284 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -3.269 -1.399 0.397 0.00 0.00 +0.092 A ENDBRANCH 10 20 ENDBRANCH 5 9 BRANCH 1 27 ATOM 25 N LIG 1 3.912 -0.029 -0.683 0.00 0.00 -0.285 N ATOM 26 H LIG 1 4.079 0.955 -0.513 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 2.825 -0.351 -1.483 0.00 0.00 +0.220 C ATOM 28 O LIG 1 2.491 -1.480 -1.824 0.00 0.00 -0.275 OA BRANCH 25 31 ATOM 29 C LIG 1 6.834 -1.136 1.298 0.00 0.00 +0.122 A ATOM 30 C LIG 1 5.869 -0.341 0.668 0.00 0.00 +0.069 A ATOM 31 C LIG 1 4.837 -0.912 -0.089 0.00 0.00 +0.037 A ATOM 32 C LIG 1 4.782 -2.300 -0.207 0.00 0.00 +0.023 A ATOM 33 C LIG 1 5.742 -3.100 0.419 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.767 -2.521 1.171 0.00 0.00 +0.046 A BRANCH 29 36 ATOM 35 C LIG 1 8.783 -1.198 2.658 0.00 0.00 +0.277 C ATOM 36 O LIG 1 7.777 -0.437 2.001 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 25 31 ENDBRANCH 1 27 TORSDOF 6