REMARK Name = BDB008530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.523 0.596 -1.183 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.725 0.446 -0.205 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 3.163 0.336 -0.900 0.00 0.00 +0.039 A ATOM 4 C LIG 1 1.795 0.329 -0.590 0.00 0.00 +0.036 A ATOM 5 C LIG 1 0.824 0.653 -1.552 0.00 0.00 +0.034 A ATOM 6 C LIG 1 1.270 0.979 -2.837 0.00 0.00 +0.023 A ATOM 7 C LIG 1 2.634 1.010 -3.151 0.00 0.00 +0.003 A ATOM 8 C LIG 1 3.584 0.695 -2.183 0.00 0.00 +0.013 A BRANCH 3 10 ATOM 9 O LIG 1 3.869 0.307 1.323 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.134 -0.019 0.172 0.00 0.00 +0.248 C ATOM 11 N LIG 1 5.238 -0.732 -0.259 0.00 0.00 -0.282 N ATOM 12 H LIG 1 5.237 -1.040 -1.222 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 6.333 -1.166 0.517 0.00 0.00 +0.034 A ATOM 14 C LIG 1 6.511 -0.848 1.864 0.00 0.00 +0.023 A ATOM 15 C LIG 1 7.631 -1.313 2.561 0.00 0.00 +0.002 A ATOM 16 C LIG 1 8.584 -2.099 1.916 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.418 -2.419 0.572 0.00 0.00 +0.002 A ATOM 18 C LIG 1 7.300 -1.953 -0.124 0.00 0.00 +0.023 A ENDBRANCH 11 13 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.724 0.819 -1.852 0.00 0.00 +0.221 A ATOM 20 N LIG 1 -2.819 0.729 -1.081 0.00 0.00 -0.199 NA ATOM 21 C LIG 1 -4.023 0.936 -1.641 0.00 0.00 +0.128 A ATOM 22 C LIG 1 -4.148 1.219 -2.985 0.00 0.00 +0.063 A ATOM 23 C LIG 1 -2.982 1.285 -3.704 0.00 0.00 +0.118 A ATOM 24 N LIG 1 -1.770 1.093 -3.162 0.00 0.00 -0.223 NA BRANCH 21 25 ATOM 25 N LIG 1 -5.213 0.852 -0.875 0.00 0.00 -0.299 N ATOM 26 H LIG 1 -5.787 1.670 -1.052 0.00 0.00 +0.154 HD BRANCH 25 27 ATOM 27 C LIG 1 -5.380 0.362 0.439 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -6.481 0.799 1.194 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -6.734 0.299 2.485 0.00 0.00 +0.057 A ATOM 30 C LIG 1 -5.869 -0.662 3.022 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -4.794 -1.131 2.272 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -4.563 -0.631 0.988 0.00 0.00 +0.023 A BRANCH 29 33 ATOM 33 C LIG 1 -7.901 0.819 3.286 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -8.965 1.169 2.510 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -8.381 -0.084 4.186 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -7.582 1.931 4.004 0.00 0.00 -0.166 F ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 21 25 ENDBRANCH 1 19 TORSDOF 7