REMARK Name = BDB027003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.658 -2.354 0.040 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.395 -3.856 0.028 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.091 -4.547 1.212 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.855 -5.922 1.194 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.927 -6.626 -0.006 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.242 -5.957 -1.187 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.480 -4.581 -1.172 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.920 -2.074 0.778 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.566 -2.838 0.574 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.566 -0.813 0.382 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -3.198 0.424 2.589 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -3.022 0.464 1.067 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -3.670 1.709 0.469 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -2.887 2.618 -0.260 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.460 3.761 -0.824 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -4.825 4.013 -0.666 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -5.614 3.115 0.058 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -5.041 1.972 0.621 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 -5.413 5.185 -1.245 0.00 0.00 +0.099 C ATOM 20 N LIG 1 -5.891 6.132 -1.716 0.00 0.00 -0.191 NA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.439 -1.597 0.642 0.00 0.00 +0.188 C ATOM 22 O LIG 1 -0.348 -1.360 1.849 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 0.617 -1.166 -0.276 0.00 0.00 +0.064 A ATOM 24 C LIG 1 1.682 -0.331 0.015 0.00 0.00 +0.077 A ATOM 25 N LIG 1 2.430 -0.182 -1.152 0.00 0.00 -0.239 N ATOM 26 C LIG 1 3.576 0.608 -1.213 0.00 0.00 +0.121 A ATOM 27 C LIG 1 4.025 1.280 -0.132 0.00 0.00 +0.003 A ATOM 28 C LIG 1 3.246 1.120 1.104 0.00 0.00 +0.012 A ATOM 29 N LIG 1 1.878 -0.888 -2.172 0.00 0.00 -0.174 NA ATOM 30 C LIG 1 2.137 0.359 1.173 0.00 0.00 +0.029 A ATOM 31 C LIG 1 0.812 -1.480 -1.636 0.00 0.00 +0.146 A BRANCH 27 32 ATOM 32 C LIG 1 5.195 2.109 -0.163 0.00 0.00 +0.021 A ATOM 33 C LIG 1 6.240 2.032 -1.061 0.00 0.00 +0.116 A ATOM 34 N LIG 1 7.124 3.010 -0.704 0.00 0.00 -0.274 N ATOM 35 C LIG 1 8.380 3.321 -1.342 0.00 0.00 +0.172 C ATOM 36 N LIG 1 6.729 3.726 0.363 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 5.556 3.177 0.691 0.00 0.00 +0.143 A ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9