REMARK Name = BDB053567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.665 -0.299 0.748 0.00 0.00 -0.006 A ATOM 2 C LIG 1 -2.401 -1.201 -0.017 0.00 0.00 +0.122 A ATOM 3 C LIG 1 -3.767 -1.009 -0.257 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -4.451 0.105 0.259 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -3.697 1.011 1.022 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -2.329 0.816 1.262 0.00 0.00 +0.009 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -5.849 0.307 0.017 0.00 0.00 -0.202 N ATOM 8 C LIG 1 -6.660 -0.543 -0.715 0.00 0.00 +0.258 C ATOM 9 O LIG 1 -6.434 -1.589 -1.297 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -8.001 0.029 -0.715 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -7.959 1.196 0.011 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -9.082 1.982 0.199 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -10.276 1.544 -0.381 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -10.320 0.348 -1.124 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.169 -0.427 -1.299 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -6.590 1.379 0.479 0.00 0.00 +0.258 C ATOM 17 O LIG 1 -6.293 2.352 1.150 0.00 0.00 -0.269 OA ENDBRANCH 4 7 BRANCH 2 18 ATOM 18 O LIG 1 -1.762 -2.292 -0.539 0.00 0.00 -0.506 OA ATOM 19 H LIG 1 -2.409 -2.834 -1.022 0.00 0.00 +0.292 HD ENDBRANCH 2 18 BRANCH 1 20 ATOM 20 C LIG 1 -0.189 -0.487 1.002 0.00 0.00 +0.043 C BRANCH 20 21 ATOM 21 C LIG 1 0.657 -0.014 -0.183 0.00 0.00 +0.040 C BRANCH 21 25 ATOM 22 C LIG 1 4.882 -0.497 0.623 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.250 0.730 0.857 0.00 0.00 +0.004 A ATOM 24 C LIG 1 2.887 0.889 0.592 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.133 -0.176 0.086 0.00 0.00 -0.047 A ATOM 26 C LIG 1 2.762 -1.406 -0.137 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.124 -1.565 0.128 0.00 0.00 +0.004 A BRANCH 22 28 ATOM 28 C LIG 1 6.357 -0.667 0.902 0.00 0.00 +0.049 C BRANCH 28 29 ATOM 29 C LIG 1 7.214 -0.811 -0.369 0.00 0.00 +0.102 C BRANCH 29 31 ATOM 30 C LIG 1 7.741 1.704 -0.634 0.00 0.00 +0.004 C ATOM 31 C LIG 1 7.227 0.426 -1.285 0.00 0.00 +0.011 C ENDBRANCH 29 31 BRANCH 29 32 ATOM 32 C LIG 1 8.626 -1.191 0.018 0.00 0.00 +0.308 C ATOM 33 O LIG 1 9.162 -1.031 1.102 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 9.306 -1.758 -0.998 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 10.190 -1.946 -0.619 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10