REMARK Name = BDB026935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.581 -0.349 -0.292 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.665 -1.797 0.170 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.978 -2.805 -0.757 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.060 -4.140 -0.357 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.845 -4.484 0.976 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.557 -3.494 1.911 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.474 -2.157 1.515 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.855 0.338 0.027 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -2.858 0.538 1.030 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.026 1.590 -0.719 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -4.415 3.684 -1.010 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -4.349 2.304 -0.343 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.587 1.483 -0.680 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -6.435 1.050 0.351 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -7.573 0.290 0.069 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -7.880 -0.049 -1.251 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -7.045 0.377 -2.286 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -5.906 1.137 -2.002 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 -9.046 -0.831 -1.542 0.00 0.00 +0.099 C ATOM 20 N LIG 1 -9.990 -1.462 -1.780 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 -0.369 0.388 0.345 0.00 0.00 +0.188 C ATOM 22 O LIG 1 -0.527 1.160 1.296 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 0.962 0.137 -0.207 0.00 0.00 +0.064 A ATOM 24 C LIG 1 2.145 0.761 0.149 0.00 0.00 +0.077 A ATOM 25 N LIG 1 3.159 0.212 -0.642 0.00 0.00 -0.238 N ATOM 26 C LIG 1 4.489 0.612 -0.536 0.00 0.00 +0.126 A ATOM 27 C LIG 1 4.835 1.547 0.364 0.00 0.00 +0.055 A ATOM 28 C LIG 1 3.798 2.162 1.179 0.00 0.00 +0.016 A ATOM 29 N LIG 1 2.663 -0.732 -1.478 0.00 0.00 -0.174 NA ATOM 30 C LIG 1 2.510 1.781 1.080 0.00 0.00 +0.029 A ATOM 31 C LIG 1 1.359 -0.776 -1.206 0.00 0.00 +0.146 A BRANCH 27 32 ATOM 32 C LIG 1 6.246 1.990 0.466 0.00 0.00 +0.246 C ATOM 33 N LIG 1 7.198 1.074 0.809 0.00 0.00 -0.309 N ATOM 34 H LIG 1 8.099 1.521 0.942 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 6.556 3.158 0.250 0.00 0.00 -0.270 OA BRANCH 33 36 ATOM 36 C LIG 1 7.003 -0.171 1.548 0.00 0.00 +0.135 C BRANCH 36 37 ATOM 37 C LIG 1 7.914 -1.298 1.040 0.00 0.00 +0.128 C ATOM 38 C LIG 1 7.533 -1.783 -0.352 0.00 0.00 +0.039 C BRANCH 37 39 ATOM 39 O LIG 1 9.274 -0.860 1.035 0.00 0.00 -0.391 OA ATOM 40 H LIG 1 9.382 -0.259 0.277 0.00 0.00 +0.210 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 12