REMARK Name = BDB000271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.579 0.972 -0.439 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.684 -0.043 -0.123 0.00 0.00 +0.047 A ATOM 3 C LIG 1 0.449 0.212 0.666 0.00 0.00 +0.027 A ATOM 4 C LIG 1 0.752 1.493 1.159 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.189 2.489 0.843 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.329 2.243 0.055 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 1.872 1.752 1.959 0.00 0.00 -0.321 N ATOM 8 C LIG 1 2.878 0.672 2.219 0.00 0.00 +0.125 C ATOM 9 C LIG 1 3.707 1.007 3.494 0.00 0.00 +0.106 C ATOM 10 N LIG 1 4.351 2.334 3.464 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 4.800 2.502 4.363 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 3.312 3.351 3.244 0.00 0.00 +0.100 C ATOM 13 C LIG 1 2.457 3.116 1.977 0.00 0.00 +0.120 C BRANCH 8 14 ATOM 14 C LIG 1 3.812 0.435 1.010 0.00 0.00 +0.252 C BRANCH 14 15 ATOM 15 O LIG 1 4.501 -0.807 1.203 0.00 0.00 -0.490 OA BRANCH 15 16 ATOM 16 C LIG 1 5.400 -1.179 0.241 0.00 0.00 +0.121 A ATOM 17 C LIG 1 5.676 -0.484 -0.938 0.00 0.00 +0.049 A ATOM 18 C LIG 1 6.631 -0.979 -1.838 0.00 0.00 -0.041 A ATOM 19 C LIG 1 6.929 -0.282 -3.139 0.00 0.00 +0.035 C ATOM 20 C LIG 1 8.432 -0.263 -3.423 0.00 0.00 +0.005 C ATOM 21 C LIG 1 9.164 -1.581 -3.125 0.00 0.00 +0.005 C ATOM 22 C LIG 1 8.276 -2.704 -2.585 0.00 0.00 +0.035 C ATOM 23 C LIG 1 7.301 -2.182 -1.564 0.00 0.00 -0.044 A ATOM 24 C LIG 1 7.013 -2.883 -0.393 0.00 0.00 +0.007 A ATOM 25 C LIG 1 6.071 -2.377 0.505 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 -2.637 0.584 -1.207 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.598 1.561 -1.612 0.00 0.00 +0.231 C BRANCH 27 28 ATOM 28 C LIG 1 -4.682 1.756 -0.552 0.00 0.00 +0.069 C BRANCH 28 29 ATOM 29 C LIG 1 -5.487 0.484 -0.306 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 O LIG 1 -6.240 0.182 -1.483 0.00 0.00 -0.375 OA BRANCH 30 31 ATOM 31 C LIG 1 -7.010 -1.019 -1.339 0.00 0.00 +0.198 C BRANCH 31 33 ATOM 32 C LIG 1 -8.802 -1.726 0.329 0.00 0.00 +0.125 A ATOM 33 C LIG 1 -8.303 -0.782 -0.588 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -9.050 0.380 -0.851 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -10.256 0.618 -0.195 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -10.736 -0.308 0.724 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -10.014 -1.477 0.984 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 -8.517 -3.828 1.426 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -8.038 -2.849 0.513 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12