REMARK Name = BDB008593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.782 -2.436 0.626 0.00 0.00 +0.104 C ATOM 2 C LIG 1 -1.443 -3.772 0.254 0.00 0.00 +0.033 C ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 3.689 -0.084 0.900 0.00 0.00 -0.263 N ATOM 4 C LIG 1 2.776 -1.064 0.595 0.00 0.00 +0.069 A ATOM 5 C LIG 1 3.495 -2.028 -0.102 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.829 -3.178 -0.558 0.00 0.00 +0.012 A ATOM 7 C LIG 1 1.453 -3.315 -0.316 0.00 0.00 +0.006 A ATOM 8 C LIG 1 0.723 -2.329 0.366 0.00 0.00 -0.025 A ATOM 9 C LIG 1 4.823 -1.527 -0.155 0.00 0.00 +0.068 A ATOM 10 C LIG 1 6.005 -2.159 -0.788 0.00 0.00 +0.068 C ATOM 11 C LIG 1 1.404 -1.193 0.851 0.00 0.00 +0.033 A ATOM 12 N LIG 1 4.935 -0.340 0.453 0.00 0.00 -0.175 NA BRANCH 3 13 ATOM 13 C LIG 1 3.448 1.140 1.641 0.00 0.00 +0.146 C BRANCH 13 14 ATOM 14 C LIG 1 3.225 2.359 0.753 0.00 0.00 +0.051 C BRANCH 14 15 ATOM 15 C LIG 1 1.909 2.307 -0.015 0.00 0.00 +0.161 C BRANCH 15 17 ATOM 16 C LIG 1 0.505 3.604 -1.389 0.00 0.00 +0.193 C ATOM 17 O LIG 1 1.747 3.550 -0.699 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 3 13 ENDBRANCH 1 8 BRANCH 1 18 ATOM 18 N LIG 1 -1.530 -1.284 0.058 0.00 0.00 -0.290 N ATOM 19 C LIG 1 -1.942 -0.274 0.937 0.00 0.00 +0.235 C ATOM 20 O LIG 1 -1.632 -0.273 2.135 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 C LIG 1 -2.865 0.841 0.397 0.00 0.00 +0.155 C ATOM 22 N LIG 1 -2.425 2.143 0.980 0.00 0.00 -0.303 NA ATOM 23 H LIG 1 -2.386 2.008 1.994 0.00 0.00 +0.123 HD ATOM 24 C LIG 1 -3.424 3.179 0.670 0.00 0.00 +0.096 C ATOM 25 C LIG 1 -4.862 2.792 1.074 0.00 0.00 +0.096 C ATOM 26 N LIG 1 -5.295 1.521 0.474 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 -6.205 1.262 0.854 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 -4.317 0.464 0.785 0.00 0.00 +0.109 C ENDBRANCH 19 21 BRANCH 18 29 ATOM 29 C LIG 1 -1.910 -1.311 -1.340 0.00 0.00 +0.077 C ATOM 30 C LIG 1 -1.352 -0.298 -2.313 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -1.002 -1.740 -2.466 0.00 0.00 +0.024 C ENDBRANCH 18 29 ENDBRANCH 1 18 TORSDOF 8