REMARK Name = BDB027586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.062 -1.057 -3.404 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -2.214 -0.543 -2.850 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -2.334 0.270 -1.645 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -3.828 0.217 -1.268 0.00 0.00 +0.092 C ATOM 5 C LIG 1 -4.489 0.023 -2.637 0.00 0.00 +0.043 C ATOM 6 C LIG 1 -3.521 -0.897 -3.369 0.00 0.00 +0.110 C ATOM 7 O LIG 1 -1.047 -1.823 -4.363 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 0.751 0.607 -2.877 0.00 0.00 +0.134 A ATOM 9 C LIG 1 0.228 -0.685 -2.793 0.00 0.00 +0.079 A ATOM 10 C LIG 1 0.946 -1.682 -2.128 0.00 0.00 +0.018 A ATOM 11 C LIG 1 2.160 -1.374 -1.504 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.670 -0.073 -1.542 0.00 0.00 +0.037 A ATOM 13 C LIG 1 1.954 0.915 -2.233 0.00 0.00 +0.069 A BRANCH 12 14 ATOM 14 N LIG 1 3.879 0.320 -0.929 0.00 0.00 -0.282 N ATOM 15 H LIG 1 4.135 1.290 -1.054 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 4.721 -0.462 -0.163 0.00 0.00 +0.241 C ATOM 17 O LIG 1 4.566 -1.636 0.141 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 5.916 0.304 0.298 0.00 0.00 +0.064 C ATOM 19 C LIG 1 6.768 -0.233 1.187 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 8.004 0.449 1.691 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 8.005 0.571 3.154 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 7.029 1.559 3.619 0.00 0.00 +0.104 C ATOM 23 C LIG 1 9.342 0.933 3.630 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 12 14 BRANCH 8 25 ATOM 24 C LIG 1 0.300 1.555 -4.926 0.00 0.00 +0.277 C ATOM 25 O LIG 1 0.103 1.634 -3.512 0.00 0.00 -0.494 OA ENDBRANCH 8 25 ENDBRANCH 1 9 BRANCH 4 26 ATOM 26 N LIG 1 -4.109 -0.926 -0.401 0.00 0.00 -0.309 N ATOM 27 H LIG 1 -3.352 -1.234 0.200 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.211 -0.788 0.431 0.00 0.00 +0.216 A ATOM 29 N LIG 1 -5.102 -1.383 1.626 0.00 0.00 -0.215 NA ATOM 30 C LIG 1 -6.139 -1.295 2.471 0.00 0.00 +0.076 A ATOM 31 C LIG 1 -7.308 -0.604 2.149 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -8.386 -0.525 3.055 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -8.291 -1.145 4.298 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.131 -1.837 4.631 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -7.311 -0.019 0.895 0.00 0.00 +0.124 A ATOM 36 C LIG 1 -6.072 -1.905 3.719 0.00 0.00 +0.028 A ATOM 37 N LIG 1 -6.282 -0.092 0.031 0.00 0.00 -0.222 NA ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 8