REMARK Name = BDB010771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.639 -0.151 0.448 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -1.173 1.040 0.897 0.00 0.00 +0.114 A ATOM 3 C LIG 1 -1.759 0.705 2.111 0.00 0.00 +0.182 A ATOM 4 N LIG 1 -2.337 1.583 2.944 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -2.304 2.833 2.484 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.799 3.268 1.305 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -1.717 -0.636 2.331 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -1.241 2.362 0.466 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -1.099 -1.149 1.289 0.00 0.00 +0.123 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.902 3.885 3.337 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.924 5.153 2.892 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.578 5.497 2.013 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.513 5.889 3.842 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.714 7.092 3.793 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.853 5.063 4.884 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.431 3.746 4.509 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.807 2.872 -0.824 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.175 3.869 -0.923 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.566 4.338 -2.173 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.785 5.538 -2.311 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.043 3.809 -3.298 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -1.008 2.861 -3.250 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -1.377 2.432 -2.019 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 -1.015 -2.728 1.053 0.00 0.00 +0.054 C ATOM 25 C LIG 1 0.418 -3.304 1.319 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -0.253 -4.497 2.024 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -1.433 -3.557 2.330 0.00 0.00 +0.019 C BRANCH 24 28 ATOM 28 C LIG 1 -1.817 -3.111 -0.298 0.00 0.00 -0.034 A ATOM 29 C LIG 1 -1.220 -3.742 -1.409 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -1.940 -4.045 -2.569 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.291 -3.729 -2.655 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.921 -3.115 -1.579 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.194 -2.816 -0.424 0.00 0.00 +0.004 A ENDBRANCH 24 28 ENDBRANCH 9 24 BRANCH 1 34 ATOM 34 C LIG 1 0.233 -0.352 -0.696 0.00 0.00 +0.127 C BRANCH 34 39 ATOM 35 C LIG 1 5.765 -0.372 -0.531 0.00 0.00 +0.007 C ATOM 36 C LIG 1 4.411 -0.756 -1.129 0.00 0.00 -0.014 C ATOM 37 C LIG 1 3.801 0.445 -1.873 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.287 0.315 -1.984 0.00 0.00 +0.005 C ATOM 39 C LIG 1 1.612 0.336 -0.597 0.00 0.00 +0.009 C ATOM 40 C LIG 1 2.517 -0.270 0.495 0.00 0.00 +0.005 C ATOM 41 C LIG 1 3.464 -1.329 -0.059 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 6