REMARK Name = BDB032083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.209 -0.433 1.857 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -1.401 -0.426 2.544 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -1.897 -1.347 3.174 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -1.923 0.853 2.359 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -1.092 1.597 1.554 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -0.101 0.790 1.302 0.00 0.00 +0.134 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 0.124 -2.648 0.820 0.00 0.00 +0.027 C ATOM 8 C LIG 1 0.659 -1.594 1.777 0.00 0.00 +0.125 C ENDBRANCH 1 8 BRANCH 4 9 ATOM 9 C LIG 1 -3.234 1.293 2.768 0.00 0.00 +0.184 C BRANCH 9 10 ATOM 10 C LIG 1 -4.280 1.006 1.719 0.00 0.00 -0.026 A ATOM 11 C LIG 1 -4.534 1.923 0.696 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -5.492 1.646 -0.285 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -6.221 0.442 -0.285 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -5.942 -0.476 0.741 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.985 -0.201 1.724 0.00 0.00 +0.006 A BRANCH 13 16 ATOM 16 C LIG 1 -7.266 0.171 -1.381 0.00 0.00 -0.013 C ATOM 17 C LIG 1 -7.988 -1.188 -1.235 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -8.351 1.269 -1.348 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -6.579 0.177 -2.764 0.00 0.00 +0.015 C ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 4 9 BRANCH 6 20 ATOM 20 C LIG 1 1.053 1.196 0.431 0.00 0.00 +0.077 C BRANCH 20 21 ATOM 21 C LIG 1 0.776 0.825 -1.026 0.00 0.00 +0.012 C BRANCH 21 22 ATOM 22 C LIG 1 2.020 0.923 -1.913 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 3.042 -0.148 -1.614 0.00 0.00 -0.047 A ATOM 24 C LIG 1 4.251 0.174 -0.977 0.00 0.00 +0.012 A ATOM 25 C LIG 1 5.201 -0.813 -0.665 0.00 0.00 -0.018 A ATOM 26 C LIG 1 4.913 -2.143 -1.010 0.00 0.00 +0.008 A ATOM 27 C LIG 1 3.719 -2.475 -1.650 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.789 -1.483 -1.952 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 6.464 -0.464 0.003 0.00 0.00 -0.017 A ATOM 30 C LIG 1 7.354 0.456 -0.575 0.00 0.00 +0.023 A ATOM 31 C LIG 1 8.559 0.779 0.064 0.00 0.00 +0.059 A ATOM 32 C LIG 1 8.902 0.169 1.273 0.00 0.00 +0.015 A ATOM 33 C LIG 1 8.027 -0.743 1.858 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.818 -1.052 1.229 0.00 0.00 +0.008 A BRANCH 31 35 ATOM 35 C LIG 1 9.514 1.738 -0.536 0.00 0.00 +0.337 C ATOM 36 O LIG 1 10.721 1.574 -0.520 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 8.912 2.828 -1.055 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 7.962 2.906 -0.846 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 11