REMARK Name = BDB064376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.817 0.778 0.726 0.00 0.00 -0.266 N ATOM 2 C LIG 1 0.323 -0.514 0.486 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.988 -1.545 0.555 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.123 -0.624 0.118 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.694 -1.904 0.031 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.033 -2.068 -0.340 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.791 -0.928 -0.640 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.231 0.357 -0.564 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -1.894 0.520 -0.155 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.246 1.876 -0.031 0.00 0.00 +0.056 C ATOM 11 C LIG 1 -0.141 1.837 1.019 0.00 0.00 +0.118 C ENDROOT BRANCH 1 20 ATOM 12 C LIG 1 4.184 -0.426 -1.769 0.00 0.00 -0.046 A ATOM 13 C LIG 1 3.108 -0.011 -0.984 0.00 0.00 +0.015 A ATOM 14 C LIG 1 3.276 0.523 0.320 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.590 0.692 0.827 0.00 0.00 +0.085 A ATOM 16 N LIG 1 4.794 1.265 2.042 0.00 0.00 -0.254 NA ATOM 17 C LIG 1 3.742 1.686 2.769 0.00 0.00 +0.113 A ATOM 18 C LIG 1 2.437 1.564 2.360 0.00 0.00 +0.044 A ATOM 19 C LIG 1 5.672 0.263 0.029 0.00 0.00 +0.063 A ATOM 20 C LIG 1 2.184 0.950 1.134 0.00 0.00 +0.047 A ATOM 21 C LIG 1 5.464 -0.297 -1.246 0.00 0.00 +0.018 A BRANCH 19 22 ATOM 22 C LIG 1 7.108 0.369 0.460 0.00 0.00 +0.246 C ATOM 23 N LIG 1 7.375 1.008 1.648 0.00 0.00 -0.314 N ATOM 24 H LIG 1 6.573 1.265 2.223 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 8.695 1.051 2.217 0.00 0.00 +0.128 C ATOM 26 O LIG 1 8.000 -0.104 -0.241 0.00 0.00 -0.270 OA ENDBRANCH 19 22 BRANCH 12 28 ATOM 27 C LIG 1 3.678 -2.526 -3.041 0.00 0.00 +0.009 C ATOM 28 C LIG 1 3.960 -1.034 -3.128 0.00 0.00 +0.032 C ENDBRANCH 12 28 ENDBRANCH 1 20 BRANCH 8 29 ATOM 29 C LIG 1 -4.074 1.486 -0.900 0.00 0.00 +0.032 A ATOM 30 C LIG 1 -5.169 2.069 -0.200 0.00 0.00 +0.173 A ATOM 31 N LIG 1 -5.680 3.104 -0.899 0.00 0.00 -0.167 NA ATOM 32 N LIG 1 -4.932 3.159 -2.015 0.00 0.00 -0.273 N ATOM 33 C LIG 1 -5.219 4.163 -3.012 0.00 0.00 +0.172 C ATOM 34 C LIG 1 -3.956 2.211 -2.065 0.00 0.00 +0.117 A BRANCH 30 35 ATOM 35 C LIG 1 -5.707 1.626 1.134 0.00 0.00 +0.437 C ATOM 36 F LIG 1 -4.724 1.565 2.074 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -6.668 2.447 1.635 0.00 0.00 -0.164 F ATOM 38 F LIG 1 -6.255 0.382 1.064 0.00 0.00 -0.164 F ENDBRANCH 30 35 ENDBRANCH 8 29 BRANCH 6 39 ATOM 39 C LIG 1 -3.655 -3.441 -0.386 0.00 0.00 +0.157 C BRANCH 39 40 ATOM 40 N LIG 1 -4.281 -3.773 0.881 0.00 0.00 -0.332 N ATOM 41 C LIG 1 -3.686 -4.433 1.918 0.00 0.00 +0.199 A ATOM 42 N LIG 1 -4.523 -4.613 2.914 0.00 0.00 -0.244 NA ATOM 43 C LIG 1 -5.702 -4.048 2.504 0.00 0.00 +0.130 A ATOM 44 C LIG 1 -5.578 -3.525 1.238 0.00 0.00 +0.107 A ENDBRANCH 39 40 ENDBRANCH 6 39 TORSDOF 7