REMARK Name = BDB060574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.961 -0.663 -0.008 0.00 0.00 +0.094 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.325 -0.818 1.122 0.00 0.00 +0.124 A ATOM 3 C LIG 1 0.009 -1.286 0.978 0.00 0.00 +0.000 A ATOM 4 C LIG 1 -0.423 -2.347 1.796 0.00 0.00 +0.007 A ATOM 5 C LIG 1 0.435 -2.924 2.732 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.731 -2.437 2.879 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.172 -1.380 2.083 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 1.720 0.245 0.354 0.00 0.00 -0.488 OA BRANCH 8 9 ATOM 9 C LIG 1 2.965 0.053 -0.330 0.00 0.00 +0.256 C BRANCH 9 12 ATOM 10 C LIG 1 5.902 -0.650 0.571 0.00 0.00 +0.039 C ATOM 11 C LIG 1 5.252 0.707 0.645 0.00 0.00 -0.073 C ATOM 12 C LIG 1 3.991 0.982 0.254 0.00 0.00 +0.012 C BRANCH 11 13 ATOM 13 C LIG 1 6.115 1.802 1.247 0.00 0.00 +0.041 C BRANCH 13 14 ATOM 14 C LIG 1 7.153 2.330 0.257 0.00 0.00 +0.125 C BRANCH 14 15 ATOM 15 C LIG 1 7.976 3.440 0.865 0.00 0.00 +0.305 C ATOM 16 O LIG 1 7.920 3.810 2.026 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 8.825 3.998 -0.030 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 8.771 3.606 -0.923 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.479 -1.604 -1.058 0.00 0.00 +0.050 A ATOM 20 N LIG 1 -2.803 -1.672 -1.492 0.00 0.00 -0.302 N ATOM 21 C LIG 1 -2.873 -2.788 -2.298 0.00 0.00 +0.204 A ATOM 22 N LIG 1 -1.704 -3.344 -2.503 0.00 0.00 -0.240 NA ATOM 23 C LIG 1 -0.821 -2.605 -1.764 0.00 0.00 +0.060 A ATOM 24 C LIG 1 0.615 -2.974 -1.770 0.00 0.00 +0.067 C BRANCH 20 25 ATOM 25 C LIG 1 -3.897 -0.798 -1.228 0.00 0.00 +0.048 A ATOM 26 C LIG 1 -3.693 0.565 -0.996 0.00 0.00 +0.027 A ATOM 27 C LIG 1 -4.783 1.414 -0.758 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -6.097 0.928 -0.756 0.00 0.00 +0.017 A ATOM 29 C LIG 1 -6.293 -0.436 -1.009 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -5.208 -1.291 -1.251 0.00 0.00 +0.027 A BRANCH 28 31 ATOM 31 C LIG 1 -7.234 1.811 -0.506 0.00 0.00 +0.135 A ATOM 32 O LIG 1 -6.942 3.127 -0.271 0.00 0.00 -0.463 OA ATOM 33 C LIG 1 -8.115 3.776 -0.063 0.00 0.00 +0.196 A ATOM 34 C LIG 1 -9.170 2.903 -0.160 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -8.605 1.635 -0.446 0.00 0.00 +0.050 A ENDBRANCH 28 31 ENDBRANCH 20 25 ENDBRANCH 1 19 TORSDOF 11