REMARK Name = BDB060132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.094 0.652 0.751 0.00 0.00 +0.057 A ATOM 2 C LIG 1 0.832 0.489 -0.274 0.00 0.00 -0.002 A ATOM 3 C LIG 1 0.599 0.264 -1.732 0.00 0.00 +0.058 C ATOM 4 C LIG 1 2.007 0.522 -2.286 0.00 0.00 +0.110 C ATOM 5 N LIG 1 2.959 0.221 -1.205 0.00 0.00 -0.325 N ATOM 6 C LIG 1 2.215 0.453 -0.032 0.00 0.00 +0.035 A ATOM 7 C LIG 1 2.691 0.601 1.260 0.00 0.00 +0.023 A ATOM 8 C LIG 1 1.782 0.817 2.298 0.00 0.00 +0.004 A ATOM 9 C LIG 1 0.404 0.863 2.043 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.506 0.807 0.432 0.00 0.00 -0.192 N BRANCH 10 11 ATOM 11 S LIG 1 -2.568 -0.024 1.501 0.00 0.00 +0.076 S ATOM 12 O LIG 1 -2.909 0.985 2.494 0.00 0.00 -0.150 OA ATOM 13 O LIG 1 -1.989 -1.291 1.891 0.00 0.00 -0.150 OA BRANCH 11 19 ATOM 14 C LIG 1 -7.617 -1.103 -1.786 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -6.378 -0.868 -0.974 0.00 0.00 -0.050 A ATOM 16 C LIG 1 -5.116 -1.077 -1.529 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -3.939 -0.883 -0.780 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -2.643 -1.173 -1.480 0.00 0.00 +0.046 C ATOM 19 C LIG 1 -4.045 -0.424 0.552 0.00 0.00 +0.115 A ATOM 20 C LIG 1 -5.321 -0.300 1.156 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -5.543 0.036 2.607 0.00 0.00 +0.046 C ATOM 22 C LIG 1 -6.470 -0.507 0.370 0.00 0.00 +0.008 A ENDBRANCH 11 19 ENDBRANCH 10 11 BRANCH 10 23 ATOM 23 C LIG 1 -1.851 2.233 0.139 0.00 0.00 +0.251 C BRANCH 23 24 ATOM 24 C LIG 1 -3.288 2.607 -0.116 0.00 0.00 +0.324 C ATOM 25 O LIG 1 -3.762 2.747 -1.235 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.021 2.805 1.004 0.00 0.00 -0.479 OA ATOM 27 H LIG 1 -3.575 2.517 1.838 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 10 23 ENDBRANCH 1 10 BRANCH 5 28 ATOM 28 C LIG 1 4.313 0.763 -1.323 0.00 0.00 +0.140 C BRANCH 28 29 ATOM 29 C LIG 1 5.362 -0.129 -0.692 0.00 0.00 -0.030 A ATOM 30 C LIG 1 6.501 0.442 -0.105 0.00 0.00 +0.006 A ATOM 31 C LIG 1 7.497 -0.365 0.453 0.00 0.00 +0.013 A ATOM 32 C LIG 1 7.385 -1.762 0.421 0.00 0.00 +0.055 A ATOM 33 C LIG 1 6.250 -2.335 -0.171 0.00 0.00 +0.013 A ATOM 34 C LIG 1 5.257 -1.527 -0.729 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 8.448 -2.631 1.046 0.00 0.00 +0.417 C ATOM 36 F LIG 1 8.236 -2.835 2.375 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.698 -2.095 0.946 0.00 0.00 -0.166 F ATOM 38 F LIG 1 8.532 -3.869 0.484 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 9