REMARK Name = BDB027188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.234 -0.015 -0.970 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.350 1.232 -0.678 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -1.744 1.293 -0.776 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -2.562 0.262 -1.099 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.992 -0.933 -1.356 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -0.608 -1.093 -1.321 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.924 -2.028 -1.696 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.132 -1.755 -2.367 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.018 -2.779 -2.693 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.155 -2.483 -3.338 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.729 -4.092 -2.355 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.582 -5.076 -2.669 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.552 -4.397 -1.684 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.658 -3.371 -1.355 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.430 2.328 -0.300 0.00 0.00 -0.327 N ATOM 16 C LIG 1 0.930 2.288 1.095 0.00 0.00 +0.126 C ATOM 17 C LIG 1 0.551 3.551 1.895 0.00 0.00 +0.097 C ATOM 18 C LIG 1 1.022 4.828 1.151 0.00 0.00 +0.134 C ATOM 19 C LIG 1 1.099 4.682 -0.369 0.00 0.00 +0.052 C ATOM 20 C LIG 1 0.109 3.643 -0.877 0.00 0.00 +0.108 C BRANCH 17 21 ATOM 21 N LIG 1 -0.905 3.632 2.200 0.00 0.00 -0.324 NA ATOM 22 H LIG 1 -1.421 3.369 1.359 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -1.133 2.887 2.864 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 18 24 ATOM 24 O LIG 1 0.141 5.918 1.468 0.00 0.00 -0.390 OA ATOM 25 H LIG 1 -0.599 5.503 1.965 0.00 0.00 +0.210 HD ENDBRANCH 18 24 ENDBRANCH 2 15 BRANCH 1 26 ATOM 26 C LIG 1 1.738 -0.182 -1.054 0.00 0.00 +0.161 C BRANCH 26 31 ATOM 27 C LIG 1 3.176 -3.341 2.336 0.00 0.00 +0.147 A ATOM 28 C LIG 1 2.896 -2.876 1.040 0.00 0.00 +0.147 A ATOM 29 N LIG 1 3.004 -3.466 -0.204 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 2.616 -2.537 -1.050 0.00 0.00 +0.202 A ATOM 31 N LIG 1 2.216 -1.393 -0.407 0.00 0.00 -0.310 N ATOM 32 C LIG 1 2.409 -1.582 0.934 0.00 0.00 +0.166 A ATOM 33 N LIG 1 2.179 -0.718 1.936 0.00 0.00 -0.216 NA ATOM 34 C LIG 1 2.471 -1.278 3.128 0.00 0.00 +0.225 A ATOM 35 N LIG 1 2.938 -2.519 3.383 0.00 0.00 -0.219 NA BRANCH 27 36 ATOM 36 N LIG 1 3.671 -4.611 2.599 0.00 0.00 -0.341 N ATOM 37 H LIG 1 3.481 -4.913 3.545 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 3.517 -5.273 1.847 0.00 0.00 +0.144 HD ENDBRANCH 27 36 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 7