REMARK Name = BDB010787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.259 -1.929 -0.941 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.036 -1.412 -1.016 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.897 -1.872 -2.002 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.119 -1.283 -1.932 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -2.079 -0.516 -0.862 0.00 0.00 +0.140 A ATOM 6 N LIG 1 -0.585 -2.795 -2.925 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 0.667 -3.255 -2.763 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.801 -0.498 -0.314 0.00 0.00 -0.320 N ATOM 9 N LIG 1 1.574 -2.882 -1.842 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.166 0.239 -0.308 0.00 0.00 -0.001 C ATOM 11 C LIG 1 -3.652 1.497 -1.016 0.00 0.00 +0.039 C ATOM 12 C LIG 1 -5.063 1.935 -0.635 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -5.235 1.893 0.873 0.00 0.00 +0.005 C ATOM 14 C LIG 1 -5.019 0.474 1.395 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -3.836 -0.246 0.773 0.00 0.00 -0.034 C BRANCH 15 16 ATOM 16 C LIG 1 -3.515 -1.534 1.439 0.00 0.00 -0.021 A ATOM 17 C LIG 1 -3.664 -2.747 0.752 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -3.355 -3.959 1.373 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.903 -3.972 2.690 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.763 -2.774 3.389 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.070 -1.562 2.768 0.00 0.00 +0.008 A ENDBRANCH 15 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 2.204 -1.534 -0.005 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.155 -0.555 0.234 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 4.226 -1.962 1.244 0.00 0.00 +0.028 C ATOM 25 C LIG 1 3.577 -2.038 -0.140 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 4.353 -1.249 -1.212 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.778 0.221 -0.953 0.00 0.00 +0.005 C ATOM 28 C LIG 1 6.216 -0.269 -0.713 0.00 0.00 +0.001 C ATOM 29 C LIG 1 5.852 -1.578 -1.433 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 1.075 -4.307 -3.759 0.00 0.00 +0.375 C ATOM 31 O LIG 1 2.163 -4.854 -3.821 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 0.053 -4.583 -4.620 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -0.732 -4.030 -4.396 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.380 0.297 0.828 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -0.036 1.760 0.487 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.254 1.920 -0.318 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.469 3.373 -0.755 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.083 4.416 0.311 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.206 5.153 -0.063 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.986 3.789 1.704 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.025 2.601 1.778 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9