REMARK Name = BDB049754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.273 0.079 -1.765 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.868 0.830 -1.475 0.00 0.00 +0.049 A ATOM 3 C LIG 1 1.599 1.462 -2.501 0.00 0.00 -0.038 A ATOM 4 C LIG 1 1.145 1.347 -3.822 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.001 0.605 -4.115 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.701 -0.027 -3.089 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.048 -0.590 -0.859 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -0.632 -0.553 0.507 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -1.593 -1.387 1.355 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -2.604 1.470 2.858 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -3.313 0.398 2.140 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -2.941 -0.772 1.510 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.064 -1.400 1.017 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -5.059 -0.592 1.331 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -4.668 0.525 2.024 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.485 -0.732 1.052 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.945 -1.853 0.342 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -8.303 -2.015 0.060 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.222 -1.057 0.484 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.783 0.062 1.189 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.424 0.223 1.471 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 2.831 2.282 -2.183 0.00 0.00 +0.093 C BRANCH 22 23 ATOM 23 C LIG 1 3.866 1.329 -1.665 0.00 0.00 +0.082 A ATOM 24 C LIG 1 4.769 0.500 -2.381 0.00 0.00 +0.100 A ATOM 25 C LIG 1 5.454 -0.180 -1.391 0.00 0.00 +0.129 A ATOM 26 N LIG 1 4.982 0.255 -0.177 0.00 0.00 -0.239 N ATOM 27 N LIG 1 4.026 1.203 -0.338 0.00 0.00 -0.170 NA BRANCH 26 28 ATOM 28 C LIG 1 5.378 -0.168 1.123 0.00 0.00 +0.065 A ATOM 29 C LIG 1 6.350 -1.162 1.300 0.00 0.00 +0.028 A ATOM 30 C LIG 1 6.718 -1.559 2.590 0.00 0.00 +0.002 A ATOM 31 C LIG 1 6.123 -0.970 3.704 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.157 0.020 3.535 0.00 0.00 +0.002 A ATOM 33 C LIG 1 4.784 0.421 2.251 0.00 0.00 +0.028 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 4.997 0.322 -3.796 0.00 0.00 +0.340 C ATOM 35 O LIG 1 5.744 -0.511 -4.290 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 4.338 1.183 -4.599 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 4.623 0.901 -5.493 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 10