REMARK Name = BDB048344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.054 1.595 -2.095 0.00 0.00 -0.318 N ATOM 2 C LIG 1 -2.864 2.608 -1.419 0.00 0.00 +0.130 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -4.243 -1.173 -1.407 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -3.639 0.027 -1.308 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -2.714 0.359 -2.232 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.419 -0.490 -3.292 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -1.449 -0.174 -4.384 0.00 0.00 +0.049 C ATOM 8 C LIG 1 -3.084 -1.701 -3.294 0.00 0.00 +0.120 A ATOM 9 N LIG 1 -3.990 -2.069 -2.374 0.00 0.00 -0.235 NA BRANCH 3 12 ATOM 10 C LIG 1 -6.501 -0.966 1.654 0.00 0.00 +0.121 A ATOM 11 C LIG 1 -5.559 -0.638 0.675 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -5.242 -1.527 -0.376 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -5.916 -2.763 -0.402 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.858 -3.099 0.572 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -7.147 -2.200 1.595 0.00 0.00 +0.045 A BRANCH 10 16 ATOM 16 O LIG 1 -6.876 -0.177 2.708 0.00 0.00 -0.492 OA BRANCH 16 18 ATOM 17 C LIG 1 -6.826 1.800 4.036 0.00 0.00 +0.048 C ATOM 18 C LIG 1 -6.258 1.105 2.812 0.00 0.00 +0.225 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 3 12 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.660 1.480 -1.617 0.00 0.00 +0.109 C BRANCH 19 20 ATOM 20 C LIG 1 -0.530 0.841 -0.229 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C LIG 1 0.910 0.891 0.278 0.00 0.00 +0.230 C BRANCH 21 22 ATOM 22 O LIG 1 1.744 0.171 -0.627 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.084 0.133 -0.346 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.700 0.700 0.772 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.077 0.575 0.903 0.00 0.00 -0.040 A ATOM 26 C LIG 1 5.938 1.070 2.022 0.00 0.00 +0.036 C ATOM 27 C LIG 1 7.330 1.002 1.376 0.00 0.00 +0.013 C ATOM 28 C LIG 1 7.293 -0.146 0.340 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.838 -0.116 -0.045 0.00 0.00 -0.040 A ATOM 30 C LIG 1 5.239 -0.686 -1.154 0.00 0.00 +0.008 A ATOM 31 C LIG 1 3.856 -0.555 -1.299 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 7.684 -1.500 0.926 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 9.162 -1.568 1.171 0.00 0.00 +0.305 C ATOM 34 O LIG 1 9.722 -1.427 2.244 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 9.869 -1.792 0.048 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 10.801 -1.815 0.351 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12