REMARK Name = BDB060420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.939 2.618 0.791 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.234 2.363 0.296 0.00 0.00 +0.118 A ATOM 3 C LIG 1 -3.178 3.386 0.451 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -4.442 3.119 -0.040 0.00 0.00 +0.124 A ATOM 5 N LIG 1 -4.793 1.967 -0.634 0.00 0.00 -0.222 NA ATOM 6 C LIG 1 -3.847 1.034 -0.747 0.00 0.00 +0.220 A ATOM 7 C LIG 1 -2.865 4.610 1.073 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -1.586 4.834 1.558 0.00 0.00 +0.004 A ATOM 9 N LIG 1 -2.590 1.202 -0.299 0.00 0.00 -0.211 NA ATOM 10 C LIG 1 -0.628 3.838 1.419 0.00 0.00 +0.048 A ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 -4.095 -0.202 -1.337 0.00 0.00 -0.284 N ATOM 12 H LIG 1 -3.248 -0.749 -1.323 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 -5.205 -0.772 -1.972 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -6.420 -0.108 -2.169 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -7.492 -0.747 -2.799 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -8.973 0.099 -3.034 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -7.376 -2.062 -3.241 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -6.179 -2.744 -3.048 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -5.108 -2.103 -2.418 0.00 0.00 +0.023 A ENDBRANCH 11 13 ENDBRANCH 6 11 BRANCH 1 20 ATOM 20 O LIG 1 0.149 1.776 0.759 0.00 0.00 -0.484 OA BRANCH 20 21 ATOM 21 C LIG 1 0.067 0.583 -0.025 0.00 0.00 +0.288 C BRANCH 21 25 ATOM 22 N LIG 1 3.366 -0.962 0.338 0.00 0.00 -0.218 N ATOM 23 N LIG 1 2.979 -1.319 -0.917 0.00 0.00 -0.060 NA ATOM 24 N LIG 1 1.790 -0.796 -1.172 0.00 0.00 -0.131 NA ATOM 25 C LIG 1 1.386 -0.112 -0.065 0.00 0.00 +0.120 A ATOM 26 C LIG 1 2.355 -0.229 0.910 0.00 0.00 +0.143 A BRANCH 22 31 ATOM 27 C LIG 1 8.450 -2.971 2.204 0.00 0.00 +0.044 C ATOM 28 C LIG 1 7.120 -2.446 1.748 0.00 0.00 -0.048 A ATOM 29 C LIG 1 6.422 -1.514 2.518 0.00 0.00 +0.038 A ATOM 30 C LIG 1 5.191 -1.002 2.065 0.00 0.00 +0.152 A ATOM 31 C LIG 1 4.625 -1.399 0.846 0.00 0.00 +0.097 A ATOM 32 C LIG 1 5.363 -2.315 0.070 0.00 0.00 +0.030 A ATOM 33 C LIG 1 6.590 -2.826 0.513 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 N LIG 1 4.608 0.014 2.906 0.00 0.00 +0.059 N ATOM 35 O LIG 1 4.741 1.188 2.541 0.00 0.00 -0.126 OA ATOM 36 O LIG 1 4.029 -0.372 3.929 0.00 0.00 -0.126 OA ENDBRANCH 30 34 ENDBRANCH 22 31 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7