REMARK Name = BDB008259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.157 -0.257 0.799 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.146 0.624 0.722 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.880 0.373 -0.107 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.924 -0.763 -0.903 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.107 -1.700 -0.808 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.158 -1.441 0.075 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.093 -2.927 -1.626 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -0.719 -2.949 -2.915 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -0.702 -4.133 -3.687 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -1.269 -4.230 -4.902 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -1.882 -3.142 -5.411 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -1.962 -1.934 -4.753 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -0.073 -5.254 -3.176 0.00 0.00 +0.028 A ATOM 14 C LIG 1 0.543 -5.250 -1.925 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.375 -1.840 -3.497 0.00 0.00 +0.012 A ATOM 16 C LIG 1 0.541 -4.095 -1.138 0.00 0.00 -0.042 A ATOM 17 C LIG 1 1.218 -4.132 0.208 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.585 1.196 2.204 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.239 -0.035 1.660 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.871 -0.806 1.810 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -2.151 2.285 1.841 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.677 1.045 3.297 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -5.043 0.926 2.620 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -2.482 2.283 5.023 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.712 2.175 4.247 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.500 2.070 4.882 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.951 1.262 -0.216 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.640 1.108 -0.943 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.195 2.349 0.596 0.00 0.00 +0.268 C ATOM 30 O LIG 1 1.609 2.683 1.616 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.375 3.152 0.135 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.051 2.665 -0.949 0.00 0.00 -0.249 NA ATOM 33 C LIG 1 5.117 3.391 -1.367 0.00 0.00 +0.130 A ATOM 34 C LIG 1 5.543 4.568 -0.764 0.00 0.00 +0.070 A ATOM 35 C LIG 1 4.832 5.038 0.341 0.00 0.00 +0.022 A ATOM 36 C LIG 1 3.729 4.320 0.802 0.00 0.00 +0.034 A BRANCH 34 37 ATOM 37 C LIG 1 6.680 5.270 -1.270 0.00 0.00 +0.101 C ATOM 38 N LIG 1 7.606 5.832 -1.686 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 7