REMARK Name = BDB027543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.479 0.547 0.516 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.752 -0.321 -0.276 0.00 0.00 -0.296 N ATOM 3 C LIG 1 0.364 -0.025 -0.605 0.00 0.00 +0.130 C ATOM 4 C LIG 1 0.052 -0.874 -1.847 0.00 0.00 +0.092 C ATOM 5 C LIG 1 1.023 -2.048 -1.694 0.00 0.00 +0.043 C ATOM 6 C LIG 1 2.267 -1.390 -1.118 0.00 0.00 +0.110 C ATOM 7 O LIG 1 2.006 1.566 1.014 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 6.627 -0.234 1.237 0.00 0.00 +0.034 A ATOM 9 C LIG 1 6.216 0.953 0.614 0.00 0.00 +0.024 A ATOM 10 C LIG 1 4.861 1.202 0.377 0.00 0.00 +0.015 A ATOM 11 C LIG 1 3.908 0.254 0.755 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.302 -0.916 1.405 0.00 0.00 +0.015 A ATOM 13 C LIG 1 5.660 -1.161 1.636 0.00 0.00 +0.024 A BRANCH 8 15 ATOM 14 C LIG 1 8.648 -1.514 1.954 0.00 0.00 +0.241 C ATOM 15 N LIG 1 8.012 -0.407 1.440 0.00 0.00 -0.282 N ATOM 16 H LIG 1 8.602 0.351 1.126 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 8.147 -2.589 2.258 0.00 0.00 -0.271 OA BRANCH 14 19 ATOM 18 C LIG 1 10.767 -0.230 2.372 0.00 0.00 +0.013 C ATOM 19 C LIG 1 10.127 -1.366 2.068 0.00 0.00 +0.060 C ENDBRANCH 14 19 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 4 20 ATOM 20 N LIG 1 -1.317 -1.363 -1.904 0.00 0.00 -0.309 N ATOM 21 H LIG 1 -1.621 -1.931 -1.121 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.286 -0.383 -2.064 0.00 0.00 +0.216 A ATOM 23 N LIG 1 -3.448 -0.620 -1.442 0.00 0.00 -0.214 NA ATOM 24 C LIG 1 -4.420 0.295 -1.553 0.00 0.00 +0.077 A ATOM 25 C LIG 1 -4.254 1.477 -2.282 0.00 0.00 +0.019 A ATOM 26 C LIG 1 -5.291 2.425 -2.389 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -6.505 2.192 -1.750 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -6.669 1.027 -1.001 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -3.014 1.624 -2.877 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -5.639 0.080 -0.927 0.00 0.00 +0.041 A ATOM 31 N LIG 1 -2.023 0.718 -2.776 0.00 0.00 -0.222 NA BRANCH 28 32 ATOM 32 C LIG 1 -7.975 0.772 -0.352 0.00 0.00 +0.246 C ATOM 33 N LIG 1 -8.008 0.404 0.991 0.00 0.00 -0.304 N ATOM 34 C LIG 1 -9.281 -0.004 1.559 0.00 0.00 +0.132 C ATOM 35 C LIG 1 -6.927 0.632 1.942 0.00 0.00 +0.132 C ATOM 36 O LIG 1 -8.980 0.887 -1.051 0.00 0.00 -0.270 OA ENDBRANCH 28 32 ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 6