REMARK Name = BDB047558 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.987 -0.230 2.611 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -6.044 0.029 0.088 0.00 0.00 +0.033 C ATOM 3 C LIG 1 -4.700 0.121 0.779 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -4.005 -1.090 0.671 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.762 -1.276 1.264 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.199 -0.215 1.975 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -2.899 0.997 2.091 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.798 -2.099 -0.096 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -4.156 1.169 1.502 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.790 -1.190 -0.835 0.00 0.00 +0.013 C BRANCH 2 11 ATOM 11 C LIG 1 -6.541 1.323 -0.586 0.00 0.00 +0.105 C BRANCH 11 13 ATOM 12 C LIG 1 -8.637 0.176 -1.642 0.00 0.00 +0.004 C ATOM 13 C LIG 1 -8.052 1.367 -0.901 0.00 0.00 +0.012 C ENDBRANCH 11 13 BRANCH 11 14 ATOM 14 C LIG 1 -5.732 1.708 -1.809 0.00 0.00 +0.308 C ATOM 15 O LIG 1 -5.905 1.327 -2.954 0.00 0.00 -0.251 OA BRANCH 14 16 ATOM 16 O LIG 1 -4.739 2.573 -1.525 0.00 0.00 -0.480 OA ATOM 17 H LIG 1 -4.283 2.706 -2.382 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 C LIG 1 -0.199 -1.419 2.485 0.00 0.00 +0.235 C BRANCH 18 19 ATOM 19 C LIG 1 1.128 -1.207 3.212 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 2.073 -0.362 2.434 0.00 0.00 +0.086 A ATOM 21 C LIG 1 2.123 1.009 2.296 0.00 0.00 +0.126 A ATOM 22 C LIG 1 1.325 2.137 2.806 0.00 0.00 +0.088 C ATOM 23 O LIG 1 3.170 1.310 1.472 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 3.712 0.092 1.149 0.00 0.00 +0.228 A ATOM 25 N LIG 1 3.089 -0.934 1.701 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 4.871 0.100 0.262 0.00 0.00 +0.037 A ATOM 27 C LIG 1 5.475 -1.112 -0.101 0.00 0.00 +0.013 A ATOM 28 C LIG 1 6.587 -1.137 -0.950 0.00 0.00 +0.004 A ATOM 29 C LIG 1 7.125 0.052 -1.459 0.00 0.00 -0.045 A ATOM 30 C LIG 1 6.523 1.265 -1.097 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.411 1.288 -0.248 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 C LIG 1 8.331 0.052 -2.382 0.00 0.00 +0.013 C ATOM 33 C LIG 1 9.568 -0.526 -1.691 0.00 0.00 +0.012 C ATOM 34 C LIG 1 8.039 -0.689 -3.689 0.00 0.00 +0.012 C ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10