REMARK Name = BDB056342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.495 0.371 0.335 0.00 0.00 +0.180 C ATOM 2 C LIG 1 1.482 1.719 -0.358 0.00 0.00 +0.108 C ATOM 3 C LIG 1 2.694 2.620 -0.122 0.00 0.00 +0.031 C ATOM 4 N LIG 1 0.183 2.364 -0.096 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.218 3.044 1.063 0.00 0.00 +0.217 C ATOM 6 O LIG 1 -1.372 3.457 1.237 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 0.788 3.293 2.152 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.825 2.044 -1.057 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -1.086 0.733 -1.530 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -2.070 0.647 -2.544 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -2.785 1.748 -3.034 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -2.538 3.011 -2.527 0.00 0.00 +0.054 A ATOM 13 N LIG 1 -0.474 -0.513 -1.068 0.00 0.00 -0.264 N ATOM 14 C LIG 1 -1.558 3.153 -1.556 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.810 -0.687 -0.539 0.00 0.00 +0.242 C ATOM 16 O LIG 1 1.405 -1.769 -0.702 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.408 -0.117 1.873 0.00 0.00 +0.230 C ATOM 18 N LIG 1 2.845 -0.122 0.618 0.00 0.00 -0.301 N ATOM 19 H LIG 1 3.256 -0.804 -0.028 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 2.900 0.477 2.817 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 4.687 -0.986 1.990 0.00 0.00 +0.137 C ATOM 22 C LIG 1 5.564 -0.473 3.129 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 6.353 -2.081 0.579 0.00 0.00 +0.101 C ATOM 24 N LIG 1 5.387 -0.997 0.681 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 5.859 -0.101 0.550 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 12 26 ATOM 26 C LIG 1 -3.254 4.148 -3.022 0.00 0.00 +0.099 C ATOM 27 N LIG 1 -3.828 5.061 -3.451 0.00 0.00 -0.191 NA ENDBRANCH 12 26 BRANCH 13 28 ATOM 28 C LIG 1 -1.137 -1.808 -1.394 0.00 0.00 +0.149 C BRANCH 28 29 ATOM 29 C LIG 1 -2.595 -1.983 -0.961 0.00 0.00 -0.019 A ATOM 30 C LIG 1 -3.039 -1.627 0.358 0.00 0.00 -0.013 A ATOM 31 C LIG 1 -4.425 -1.701 0.657 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -4.908 -1.324 1.922 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -4.043 -0.891 2.923 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -2.683 -0.846 2.672 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.327 -2.170 -0.303 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -4.881 -2.607 -1.546 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -2.192 -1.216 1.417 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -3.521 -2.554 -1.878 0.00 0.00 -0.045 A ATOM 39 C LIG 1 -3.109 -3.109 -3.219 0.00 0.00 +0.044 C ENDBRANCH 28 29 ENDBRANCH 13 28 TORSDOF 6