REMARK Name = BDB010707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.175 0.141 -0.571 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.152 -0.768 -0.311 0.00 0.00 -0.318 N ATOM 3 C LIG 1 0.479 -0.995 -1.504 0.00 0.00 +0.128 A ATOM 4 C LIG 1 1.003 -0.042 -2.361 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.571 0.178 -3.609 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.432 -0.631 -3.944 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.000 -1.616 -3.196 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -0.538 -1.843 -1.949 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.024 0.644 -1.787 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.924 2.163 1.023 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.873 1.796 0.175 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.253 0.558 0.340 0.00 0.00 +0.106 A ATOM 13 N LIG 1 3.626 -0.325 1.295 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.639 0.045 2.109 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.304 1.257 2.017 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 4.745 4.607 1.517 0.00 0.00 +0.012 C ATOM 17 C LIG 1 5.620 3.506 0.915 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.027 3.857 -0.517 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.023 -0.485 -5.323 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -0.684 0.313 -6.178 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -2.021 -1.396 -5.510 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -2.121 -1.931 -4.689 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -1.054 -2.873 -1.181 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -0.313 -3.354 -0.681 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.077 -3.809 -1.659 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -1.568 -4.672 -2.812 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -3.409 -3.142 -2.002 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.657 -4.071 -2.051 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.460 -2.901 -1.451 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -4.134 -2.397 -0.847 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.792 -1.310 0.988 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -0.183 -0.471 1.845 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -1.555 -0.284 1.183 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -2.524 0.479 2.088 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -1.973 1.837 2.574 0.00 0.00 -0.035 C ATOM 36 C LIG 1 -2.922 2.405 3.647 0.00 0.00 +0.011 C ATOM 37 C LIG 1 -1.912 2.846 1.411 0.00 0.00 +0.011 C ATOM 38 C LIG 1 -0.573 1.640 3.196 0.00 0.00 +0.007 C ATOM 39 C LIG 1 0.396 0.878 2.287 0.00 0.00 +0.006 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9