REMARK Name = BDB026469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.341 -3.173 -1.188 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.815 -2.696 -0.587 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.002 -2.569 0.613 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.716 -2.379 -1.607 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -1.047 -2.389 -2.892 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.255 -3.136 -2.629 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.572 -3.454 -0.477 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 4.372 -0.251 -0.768 0.00 0.00 +0.055 A ATOM 9 C LIG 1 4.578 -1.489 -1.356 0.00 0.00 +0.124 A ATOM 10 N LIG 1 3.708 -2.525 -1.258 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 2.561 -2.311 -0.558 0.00 0.00 +0.059 A ATOM 12 C LIG 1 2.266 -1.081 0.035 0.00 0.00 +0.025 A ATOM 13 C LIG 1 3.180 -0.036 -0.080 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 5.809 0.979 -2.098 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 5.375 0.813 -0.961 0.00 0.00 +0.248 C ATOM 16 N LIG 1 5.764 1.590 0.134 0.00 0.00 -0.297 N ATOM 17 C LIG 1 6.689 2.693 -0.114 0.00 0.00 +0.108 C ATOM 18 C LIG 1 8.125 2.264 0.181 0.00 0.00 +0.019 C ATOM 19 C LIG 1 8.245 1.708 1.601 0.00 0.00 +0.003 C ATOM 20 C LIG 1 7.210 0.611 1.860 0.00 0.00 +0.019 C ATOM 21 C LIG 1 5.798 1.083 1.508 0.00 0.00 +0.108 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -2.906 -1.586 -1.349 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -2.686 -0.063 -1.449 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -1.498 0.364 -0.769 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.808 0.701 0.097 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.898 0.759 -0.941 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.809 1.175 0.480 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.789 2.247 0.773 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.221 1.776 0.908 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.511 0.446 1.267 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.844 0.042 1.423 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.882 0.957 1.247 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.598 2.278 0.910 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.397 -0.560 1.423 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.274 2.688 0.746 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.010 0.096 1.466 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8