REMARK Name = BDB027072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.304 0.787 -1.329 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.057 0.830 -2.830 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.569 -0.191 -3.651 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.352 -0.173 -5.030 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.633 0.871 -5.609 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.141 1.904 -4.812 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.356 1.888 -3.432 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.031 1.104 -0.490 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.019 2.088 0.260 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -5.127 0.234 0.864 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -4.565 -0.796 0.091 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.225 -0.678 -0.312 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.426 0.415 0.020 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.129 0.204 -0.565 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.190 -1.017 -1.215 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -3.003 1.442 0.795 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -2.451 -1.531 -1.062 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -2.775 -2.407 -1.448 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -4.340 1.339 1.208 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 -9.974 -0.846 1.151 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -8.655 -0.325 1.415 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -8.468 0.490 2.469 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -7.167 0.788 2.401 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -6.512 0.165 1.310 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -7.518 -0.554 0.694 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.380 1.753 -0.987 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 1.976 2.453 -0.349 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.547 1.126 -0.359 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.312 0.691 1.099 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.541 0.038 1.691 0.00 0.00 -0.046 A ATOM 31 C LIG 1 4.668 -1.359 1.703 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.806 -1.965 2.245 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.834 -1.177 2.775 0.00 0.00 +0.037 A ATOM 34 C LIG 1 6.708 0.216 2.773 0.00 0.00 +0.013 A ATOM 35 C LIG 1 5.572 0.820 2.227 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 8.058 -1.780 3.367 0.00 0.00 +0.242 C ATOM 37 O LIG 1 8.727 -1.194 4.209 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 8.436 -3.011 2.901 0.00 0.00 -0.325 N ATOM 39 H LIG 1 8.082 -3.387 2.032 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 9.328 -3.353 3.233 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9