REMARK Name = BDB024305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.743 0.505 -1.595 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.726 -0.508 -2.732 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.166 -0.112 -4.007 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.171 -1.013 -5.073 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.746 -2.325 -4.879 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.325 -2.740 -3.617 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.321 -1.841 -2.549 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.632 0.234 -1.036 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.751 0.236 -2.042 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.641 0.308 -0.510 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.910 0.289 0.692 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.375 -0.182 0.731 0.00 0.00 +0.003 A ATOM 13 C LIG 1 4.132 -0.125 -0.636 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.903 0.012 -1.198 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.845 0.095 -0.366 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.981 0.047 1.013 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.259 -0.094 1.563 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.309 -0.064 1.300 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.897 -0.269 1.511 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.472 -0.804 2.668 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.144 -0.840 2.527 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.710 -0.333 1.279 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.882 0.030 0.646 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -3.083 0.693 -0.979 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.934 1.298 -0.167 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.704 -0.551 -0.505 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -5.021 -0.279 0.248 0.00 0.00 +0.051 C BRANCH 27 28 ATOM 28 C LIG 1 -4.851 0.531 1.520 0.00 0.00 -0.029 A ATOM 29 C LIG 1 -5.287 1.867 1.637 0.00 0.00 +0.056 A ATOM 30 C LIG 1 -5.085 2.568 2.836 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.454 1.948 3.911 0.00 0.00 +0.042 A ATOM 32 CL LIG 1 -4.211 2.818 5.375 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -4.019 0.632 3.809 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -4.216 -0.073 2.621 0.00 0.00 +0.006 A BRANCH 29 35 ATOM 35 C LIG 1 -5.940 2.557 0.559 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.479 3.134 -0.292 0.00 0.00 -0.191 NA ENDBRANCH 29 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9