REMARK Name = BDB058510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.209 -0.597 -1.043 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.089 0.756 -0.753 0.00 0.00 +0.143 A ATOM 3 O LIG 1 1.166 1.186 -1.094 0.00 0.00 -0.458 OA ATOM 4 C LIG 1 1.857 0.115 -1.573 0.00 0.00 +0.120 A ATOM 5 C LIG 1 1.052 -1.002 -1.564 0.00 0.00 +0.055 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -3.705 -3.009 -0.412 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -3.774 -1.805 -1.131 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.635 -1.016 -1.343 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.395 -1.407 -0.835 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -1.304 -2.608 -0.130 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -2.443 -3.393 0.080 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -5.165 -4.023 1.372 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -4.937 -3.893 -0.150 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -6.244 -3.340 -0.761 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -4.709 -5.297 -0.751 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -0.943 1.786 -0.167 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -1.810 1.496 0.890 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -2.628 2.491 1.440 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -2.610 3.813 0.956 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -1.729 4.094 -0.100 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -0.908 3.099 -0.648 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 C LIG 1 -3.522 4.880 1.586 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -3.407 6.270 0.920 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -3.159 5.055 3.076 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -4.998 4.441 1.471 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.267 0.358 -1.978 0.00 0.00 +0.156 C BRANCH 26 27 ATOM 27 N LIG 1 4.162 -0.568 -1.277 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 4.010 -0.450 -0.275 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 5.562 -0.289 -1.598 0.00 0.00 +0.085 C BRANCH 29 30 ATOM 30 C LIG 1 6.504 -1.304 -0.919 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.373 -1.276 0.617 0.00 0.00 +0.020 C ATOM 32 C LIG 1 7.658 -1.744 1.290 0.00 0.00 +0.081 C ATOM 33 N LIG 1 8.790 -0.865 0.995 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 9.656 -1.391 1.109 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 8.743 -0.253 -0.333 0.00 0.00 +0.081 C ATOM 36 C LIG 1 7.965 -1.077 -1.355 0.00 0.00 +0.020 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8