REMARK Name = BDB064472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.504 0.606 1.566 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -0.963 -0.006 2.917 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -0.501 0.355 4.002 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.940 -0.968 2.910 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -1.996 -1.480 3.782 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.740 -1.358 1.830 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.067 -0.526 0.747 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -3.811 -1.054 -0.324 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -4.276 -2.369 -0.289 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.010 -3.168 0.819 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.719 0.932 0.707 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -3.253 -2.663 1.876 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -1.575 1.438 1.025 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -3.773 1.899 0.252 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.399 2.995 -0.538 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -4.362 3.912 -0.964 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.696 3.744 -0.594 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.069 2.665 0.209 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.110 1.745 0.638 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 22 ATOM 20 O LIG 1 1.589 -1.305 1.765 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 1.002 -1.120 0.710 0.00 0.00 +0.248 C ATOM 22 N LIG 1 -0.094 -0.318 0.537 0.00 0.00 -0.282 N ATOM 23 H LIG 1 -0.380 -0.073 -0.399 0.00 0.00 +0.151 HD BRANCH 21 24 ATOM 24 C LIG 1 1.458 -1.788 -0.513 0.00 0.00 +0.059 A ATOM 25 C LIG 1 2.318 -1.173 -1.431 0.00 0.00 -0.018 A ATOM 26 C LIG 1 2.674 -1.910 -2.571 0.00 0.00 +0.025 A ATOM 27 C LIG 1 2.166 -3.195 -2.736 0.00 0.00 +0.111 A ATOM 28 N LIG 1 1.334 -3.796 -1.856 0.00 0.00 -0.262 NA ATOM 29 C LIG 1 1.007 -3.082 -0.752 0.00 0.00 +0.124 A BRANCH 25 30 ATOM 30 C LIG 1 2.881 0.217 -1.228 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.345 0.221 -1.093 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 4.900 1.595 -1.168 0.00 0.00 +0.113 C ATOM 33 C LIG 1 5.263 2.188 0.204 0.00 0.00 +0.175 C ATOM 34 O LIG 1 6.258 1.420 0.890 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 6.176 0.013 0.610 0.00 0.00 +0.175 C ATOM 36 C LIG 1 4.769 -0.434 0.172 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 5