REMARK Name = BDB053400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.281 -1.596 -1.023 0.00 0.00 +0.121 C ATOM 2 C LIG 1 0.863 -0.772 -0.482 0.00 0.00 -0.021 A ATOM 3 C LIG 1 1.385 0.047 -1.490 0.00 0.00 -0.042 A ATOM 4 C LIG 1 2.469 0.877 -1.250 0.00 0.00 +0.012 A ATOM 5 C LIG 1 3.050 0.890 0.029 0.00 0.00 -0.017 A ATOM 6 C LIG 1 2.511 0.061 1.039 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.654 -0.146 -2.782 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.425 -0.782 0.785 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.637 -0.835 -2.317 0.00 0.00 +0.034 C ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -4.946 -1.179 2.984 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -3.880 -0.615 2.098 0.00 0.00 -0.020 A ATOM 12 C LIG 1 -3.022 -1.401 1.314 0.00 0.00 +0.111 A ATOM 13 N LIG 1 -2.934 -2.761 1.162 0.00 0.00 -0.230 NA ATOM 14 C LIG 1 -1.963 -2.971 0.290 0.00 0.00 +0.115 A ATOM 15 N LIG 1 -1.390 -1.771 -0.104 0.00 0.00 -0.305 N ATOM 16 C LIG 1 -2.073 -0.763 0.531 0.00 0.00 +0.161 A ATOM 17 N LIG 1 -1.861 0.561 0.419 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 -2.696 1.308 1.178 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -3.690 0.776 2.008 0.00 0.00 +0.029 A BRANCH 14 20 ATOM 20 C LIG 1 -1.529 -4.329 -0.196 0.00 0.00 +0.049 C ATOM 21 C LIG 1 -0.382 -4.860 0.664 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -2.698 -5.318 -0.185 0.00 0.00 +0.015 C ENDBRANCH 14 20 BRANCH 18 23 ATOM 23 C LIG 1 -2.507 2.806 1.096 0.00 0.00 +0.058 C BRANCH 23 24 ATOM 24 C LIG 1 -3.213 3.504 -0.084 0.00 0.00 -0.011 C ATOM 25 C LIG 1 -4.736 3.383 -0.012 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -2.701 3.031 -1.446 0.00 0.00 +0.007 C ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 1 15 BRANCH 5 27 ATOM 27 C LIG 1 4.216 1.741 0.311 0.00 0.00 -0.007 A ATOM 28 C LIG 1 5.514 1.485 -0.197 0.00 0.00 +0.028 A ATOM 29 C LIG 1 6.547 2.398 0.096 0.00 0.00 +0.012 A ATOM 30 C LIG 1 6.322 3.526 0.886 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.054 3.769 1.397 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.013 2.887 1.110 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 5.870 0.320 -1.018 0.00 0.00 +0.180 A ATOM 34 N LIG 1 5.235 -0.894 -1.026 0.00 0.00 -0.239 N ATOM 35 H LIG 1 4.427 -1.207 -0.505 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 5.837 -1.737 -1.875 0.00 0.00 -0.046 NA ATOM 37 N LIG 1 6.849 -1.050 -2.378 0.00 0.00 -0.023 NA ATOM 38 N LIG 1 6.890 0.218 -1.853 0.00 0.00 -0.108 NA ENDBRANCH 28 33 ENDBRANCH 5 27 TORSDOF 6