REMARK Name = BDB007140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.654 1.220 -3.437 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.395 1.629 -2.462 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.261 1.681 -1.039 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.476 2.124 -0.515 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.673 2.301 0.865 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.611 2.014 1.727 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.611 1.554 1.233 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.333 2.323 -1.585 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.800 1.398 -0.149 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.688 2.029 -2.771 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.342 2.152 -4.105 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 1.700 1.263 2.205 0.00 0.00 +0.245 C ATOM 13 N LIG 1 2.592 0.280 1.838 0.00 0.00 -0.305 N ATOM 14 H LIG 1 2.396 -0.296 1.032 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 1.753 1.862 3.273 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 3.672 -0.144 2.713 0.00 0.00 +0.100 C ATOM 17 C LIG 1 3.156 -1.051 3.834 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 4.765 -0.783 1.873 0.00 0.00 -0.027 A ATOM 19 C LIG 1 4.692 -2.111 1.431 0.00 0.00 +0.006 A ATOM 20 C LIG 1 5.702 -2.657 0.632 0.00 0.00 +0.004 A ATOM 21 C LIG 1 6.807 -1.887 0.245 0.00 0.00 -0.045 A ATOM 22 C LIG 1 6.873 -0.555 0.672 0.00 0.00 +0.004 A ATOM 23 C LIG 1 5.864 -0.009 1.471 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 7.890 -2.502 -0.623 0.00 0.00 +0.013 C ATOM 25 C LIG 1 7.987 -1.801 -1.981 0.00 0.00 +0.012 C ATOM 26 C LIG 1 9.247 -2.507 0.086 0.00 0.00 +0.012 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.701 2.830 -1.456 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.671 1.817 -0.894 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -5.649 2.232 0.020 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.580 1.323 0.532 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.574 -0.028 0.150 0.00 0.00 -0.031 A ATOM 32 C LIG 1 -5.607 -0.426 -0.786 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.673 0.478 -1.304 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.596 -1.016 0.705 0.00 0.00 +0.092 C ATOM 35 C LIG 1 -7.076 -2.278 1.392 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -7.667 -1.185 2.223 0.00 0.00 +0.024 C BRANCH 34 37 ATOM 37 C LIG 1 -8.882 -1.104 -0.050 0.00 0.00 +0.315 C ATOM 38 O LIG 1 -9.839 -0.369 0.130 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -8.902 -2.087 -0.974 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -9.789 -2.001 -1.379 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9