REMARK Name = BDB063127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.126 -2.738 -0.001 0.00 0.00 -0.268 N ATOM 2 H LIG 1 0.165 -3.475 -0.627 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -5.647 -2.302 -0.912 0.00 0.00 +0.047 C ATOM 4 C LIG 1 -4.186 -2.377 -0.608 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -3.511 -1.523 0.250 0.00 0.00 +0.079 A ATOM 6 N LIG 1 -2.178 -1.621 0.455 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -1.498 -2.579 -0.184 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -2.079 -3.486 -0.983 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -3.404 -3.360 -1.179 0.00 0.00 +0.120 A BRANCH 5 10 ATOM 10 C LIG 1 -4.142 -0.422 1.001 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -5.255 -0.638 1.834 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.846 0.428 2.544 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -5.296 1.706 2.424 0.00 0.00 +0.039 A ATOM 14 S LIG 1 -6.205 2.803 3.393 0.00 0.00 -0.075 S ATOM 15 C LIG 1 -7.225 1.515 3.875 0.00 0.00 +0.157 A ATOM 16 C LIG 1 -4.174 1.953 1.622 0.00 0.00 +0.018 A ATOM 17 N LIG 1 -6.952 0.332 3.375 0.00 0.00 -0.247 NA ATOM 18 C LIG 1 -3.613 0.876 0.925 0.00 0.00 +0.011 A ENDBRANCH 5 10 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 0.826 -1.712 0.104 0.00 0.00 +0.125 A ATOM 20 N LIG 1 0.498 -0.420 -0.113 0.00 0.00 -0.239 NA ATOM 21 C LIG 1 1.465 0.522 0.018 0.00 0.00 +0.126 A ATOM 22 C LIG 1 2.784 0.230 0.316 0.00 0.00 +0.055 A ATOM 23 C LIG 1 3.123 -1.096 0.558 0.00 0.00 +0.018 A ATOM 24 C LIG 1 2.133 -2.075 0.446 0.00 0.00 +0.044 A BRANCH 22 25 ATOM 25 C LIG 1 3.756 1.331 0.430 0.00 0.00 +0.248 C ATOM 26 N LIG 1 4.924 1.277 -0.325 0.00 0.00 -0.295 N ATOM 27 C LIG 1 5.112 0.394 -1.484 0.00 0.00 +0.123 C ATOM 28 C LIG 1 6.295 0.818 -2.377 0.00 0.00 +0.100 C ATOM 29 N LIG 1 6.287 2.246 -2.729 0.00 0.00 -0.313 NA ATOM 30 H LIG 1 5.532 2.417 -3.395 0.00 0.00 +0.122 HD ATOM 31 C LIG 1 6.053 3.107 -1.548 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.894 2.368 -0.207 0.00 0.00 +0.123 C ATOM 33 O LIG 1 3.473 2.258 1.183 0.00 0.00 -0.270 OA ENDBRANCH 22 25 ENDBRANCH 1 19 TORSDOF 4