REMARK Name = BDB051296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.144 1.347 2.145 0.00 0.00 +0.060 C ATOM 2 C LIG 1 2.439 2.463 3.071 0.00 0.00 +0.252 C ATOM 3 O LIG 1 3.435 3.165 3.078 0.00 0.00 -0.270 OA ATOM 4 N LIG 1 1.408 2.556 3.933 0.00 0.00 -0.248 N ATOM 5 H LIG 1 1.351 3.218 4.688 0.00 0.00 +0.158 HD ATOM 6 C LIG 1 0.504 1.582 3.703 0.00 0.00 +0.252 C ATOM 7 O LIG 1 -0.502 1.388 4.361 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.981 0.799 2.537 0.00 0.00 +0.059 C ENDROOT BRANCH 1 16 ATOM 9 C LIG 1 6.173 0.126 -0.425 0.00 0.00 +0.149 C ATOM 10 N LIG 1 4.802 0.457 -0.108 0.00 0.00 -0.348 N ATOM 11 C LIG 1 3.776 0.536 -1.024 0.00 0.00 +0.068 A ATOM 12 C LIG 1 2.627 0.895 -0.314 0.00 0.00 +0.096 A ATOM 13 N LIG 1 1.423 1.095 -0.909 0.00 0.00 -0.253 NA ATOM 14 C LIG 1 1.408 0.893 -2.242 0.00 0.00 +0.111 A ATOM 15 C LIG 1 2.497 0.523 -3.017 0.00 0.00 +0.022 A ATOM 16 C LIG 1 2.987 1.010 1.054 0.00 0.00 +0.031 A ATOM 17 C LIG 1 3.733 0.337 -2.407 0.00 0.00 +0.029 A ATOM 18 C LIG 1 4.340 0.752 1.150 0.00 0.00 +0.096 A ENDBRANCH 1 16 BRANCH 8 19 ATOM 19 C LIG 1 0.275 -0.318 2.014 0.00 0.00 +0.013 A ATOM 20 C LIG 1 0.762 -1.635 1.747 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -0.306 -2.370 1.217 0.00 0.00 +0.050 A ATOM 22 C LIG 1 -0.169 -3.717 0.839 0.00 0.00 +0.026 A ATOM 23 C LIG 1 1.076 -4.328 1.009 0.00 0.00 +0.002 A ATOM 24 C LIG 1 2.150 -3.624 1.540 0.00 0.00 +0.001 A ATOM 25 N LIG 1 -1.393 -1.521 1.166 0.00 0.00 -0.346 N ATOM 26 C LIG 1 2.006 -2.284 1.914 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -1.059 -0.293 1.676 0.00 0.00 +0.095 A BRANCH 25 28 ATOM 28 C LIG 1 -2.712 -1.855 0.653 0.00 0.00 +0.123 C BRANCH 28 29 ATOM 29 C LIG 1 -2.800 -1.812 -0.875 0.00 0.00 +0.037 C BRANCH 29 30 ATOM 30 C LIG 1 -2.550 -0.421 -1.474 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 N LIG 1 -3.492 0.598 -0.991 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -4.869 0.362 -1.478 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -5.694 1.657 -1.532 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -5.160 2.607 -2.466 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -3.732 2.538 -2.582 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -3.045 1.967 -1.333 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 8 19 TORSDOF 6