REMARK Name = BDB053932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.872 -1.753 2.913 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -1.922 -0.432 2.440 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -2.911 -0.068 1.504 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -3.866 -0.986 1.042 0.00 0.00 -0.017 A ATOM 5 C LIG 1 -3.806 -2.293 1.545 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -2.821 -2.675 2.465 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.887 -0.592 0.057 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -4.526 0.056 -1.139 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -5.497 0.429 -2.079 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -6.847 0.159 -1.828 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -7.222 -0.479 -0.649 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.250 -0.851 0.283 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 -5.143 1.110 -3.348 0.00 0.00 +0.337 C ATOM 14 O LIG 1 -5.929 1.478 -4.201 0.00 0.00 -0.245 OA BRANCH 13 15 ATOM 15 O LIG 1 -3.820 1.296 -3.492 0.00 0.00 -0.477 OA ATOM 16 H LIG 1 -3.738 1.758 -4.352 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 9 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 17 C LIG 1 -0.827 -3.348 4.346 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -0.856 -2.041 3.787 0.00 0.00 -0.495 OA ENDBRANCH 1 18 BRANCH 2 19 ATOM 19 C LIG 1 -0.910 0.604 2.866 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 N LIG 1 0.267 0.547 2.027 0.00 0.00 -0.307 N ATOM 21 H LIG 1 0.805 -0.305 2.089 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 0.381 1.330 0.899 0.00 0.00 +0.244 C ATOM 23 O LIG 1 -0.423 2.202 0.590 0.00 0.00 -0.270 OA BRANCH 22 24 ATOM 24 C LIG 1 1.542 1.041 0.013 0.00 0.00 +0.037 A ATOM 25 C LIG 1 2.743 0.517 0.511 0.00 0.00 +0.016 A ATOM 26 C LIG 1 3.809 0.264 -0.358 0.00 0.00 +0.047 A ATOM 27 C LIG 1 3.682 0.554 -1.720 0.00 0.00 +0.128 A ATOM 28 C LIG 1 2.485 1.065 -2.221 0.00 0.00 +0.047 A ATOM 29 C LIG 1 1.421 1.321 -1.355 0.00 0.00 +0.016 A BRANCH 27 30 ATOM 30 O LIG 1 4.681 0.294 -2.630 0.00 0.00 -0.456 OA BRANCH 30 31 ATOM 31 C LIG 1 5.951 0.715 -2.308 0.00 0.00 +0.128 A ATOM 32 C LIG 1 6.992 -0.189 -2.525 0.00 0.00 +0.046 A ATOM 33 C LIG 1 8.307 0.186 -2.249 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.581 1.468 -1.773 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.542 2.380 -1.579 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.226 2.007 -1.854 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 19 20 ENDBRANCH 2 19 TORSDOF 9