REMARK Name = BDB007792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.827 0.500 -1.125 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.277 0.988 0.060 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.114 1.056 0.218 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -0.964 0.637 -0.812 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.413 0.134 -1.993 0.00 0.00 +0.016 A ATOM 6 C LIG 1 0.975 0.074 -2.147 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.446 0.667 -0.674 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -2.961 1.657 0.134 0.00 0.00 -0.309 N ATOM 9 H LIG 1 -2.359 2.418 0.420 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -3.132 -0.153 -1.270 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -4.400 1.864 0.300 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 -4.965 1.154 1.546 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 -4.015 1.261 2.623 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 -3.176 0.946 2.241 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -5.306 -0.335 1.317 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -6.414 -0.548 0.369 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -7.723 -0.317 1.012 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -8.909 -0.695 0.147 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -8.758 -1.572 -0.940 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -9.875 -1.931 -1.706 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -11.140 -1.447 -1.376 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -11.297 -0.594 -0.287 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.387 -2.071 -1.317 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -10.189 -0.221 0.473 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -6.370 -1.913 -0.180 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 3.157 0.369 -1.411 0.00 0.00 -0.489 OA BRANCH 26 31 ATOM 27 C LIG 1 7.940 -1.101 0.612 0.00 0.00 +0.221 C ATOM 28 N LIG 1 6.779 -0.474 0.169 0.00 0.00 -0.301 N ATOM 29 C LIG 1 6.655 0.890 -0.344 0.00 0.00 +0.111 C ATOM 30 C LIG 1 5.419 1.064 -1.216 0.00 0.00 +0.063 C ATOM 31 C LIG 1 4.132 0.764 -0.438 0.00 0.00 +0.176 C ATOM 32 C LIG 1 4.339 -0.341 0.607 0.00 0.00 +0.063 C ATOM 33 C LIG 1 5.525 -1.236 0.263 0.00 0.00 +0.111 C ATOM 34 O LIG 1 7.880 -2.272 1.010 0.00 0.00 -0.275 OA BRANCH 27 36 ATOM 35 C LIG 1 10.320 -1.277 1.377 0.00 0.00 +0.020 C ATOM 36 C LIG 1 9.324 -0.390 0.584 0.00 0.00 +0.039 C ATOM 37 C LIG 1 9.863 -0.299 -0.852 0.00 0.00 +0.020 C ATOM 38 C LIG 1 9.316 0.980 1.277 0.00 0.00 +0.020 C ENDBRANCH 27 36 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 9