REMARK Name = BDB024368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.029 2.345 0.821 0.00 0.00 +0.171 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.968 0.081 0.075 0.00 0.00 -0.047 A ATOM 3 C LIG 1 1.011 0.853 0.748 0.00 0.00 +0.009 A ATOM 4 C LIG 1 0.025 1.567 0.044 0.00 0.00 -0.021 A ATOM 5 C LIG 1 0.055 1.542 -1.359 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.015 0.790 -2.036 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.960 0.054 -1.324 0.00 0.00 +0.003 A BRANCH 2 8 ATOM 8 C LIG 1 2.954 -0.758 0.850 0.00 0.00 +0.035 C BRANCH 8 9 ATOM 9 C LIG 1 2.358 -2.130 1.183 0.00 0.00 +0.005 C BRANCH 9 10 ATOM 10 C LIG 1 3.349 -2.998 1.960 0.00 0.00 +0.000 C BRANCH 10 11 ATOM 11 C LIG 1 2.751 -4.333 2.416 0.00 0.00 -0.000 C BRANCH 11 13 ATOM 12 C LIG 1 1.890 -6.610 1.765 0.00 0.00 +0.004 C ATOM 13 C LIG 1 2.409 -5.273 1.259 0.00 0.00 -0.003 C ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 14 ATOM 14 C LIG 1 -2.425 2.435 0.144 0.00 0.00 +0.240 C ATOM 15 N LIG 1 -3.129 1.342 -0.259 0.00 0.00 -0.269 N ATOM 16 H LIG 1 -3.929 1.582 -0.831 0.00 0.00 +0.156 HD ATOM 17 O LIG 1 -2.959 3.538 -0.051 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -2.994 -0.036 -0.127 0.00 0.00 +0.125 A ATOM 19 N LIG 1 -3.799 -0.716 -0.968 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 -3.741 -2.074 -0.950 0.00 0.00 +0.121 A ATOM 21 C LIG 1 -2.929 -2.817 -0.104 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -2.140 -2.089 0.784 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -2.180 -0.690 0.782 0.00 0.00 +0.044 A BRANCH 21 24 ATOM 24 C LIG 1 -2.889 -4.267 -0.127 0.00 0.00 +0.021 A ATOM 25 C LIG 1 -3.882 -5.091 -0.617 0.00 0.00 +0.116 A ATOM 26 N LIG 1 -3.445 -6.373 -0.435 0.00 0.00 -0.274 N ATOM 27 C LIG 1 -4.140 -7.587 -0.788 0.00 0.00 +0.172 C ATOM 28 N LIG 1 -2.235 -6.448 0.143 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -1.899 -5.169 0.330 0.00 0.00 +0.143 A ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 1 14 BRANCH 1 30 ATOM 30 N LIG 1 -0.559 3.695 1.256 0.00 0.00 -0.302 NA ATOM 31 H LIG 1 -1.389 4.181 1.607 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 0.001 4.512 0.169 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 0.225 5.953 0.651 0.00 0.00 +0.050 C BRANCH 33 34 ATOM 34 C LIG 1 0.796 6.825 -0.443 0.00 0.00 -0.046 A ATOM 35 C LIG 1 2.183 6.935 -0.612 0.00 0.00 +0.005 A ATOM 36 C LIG 1 2.710 7.725 -1.636 0.00 0.00 +0.019 A ATOM 37 C LIG 1 1.855 8.410 -2.505 0.00 0.00 +0.052 A ATOM 38 C LIG 1 0.471 8.299 -2.345 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -0.056 7.508 -1.321 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 2.396 9.220 -3.557 0.00 0.00 +0.099 C ATOM 41 N LIG 1 2.834 9.875 -4.409 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 14