REMARK Name = BDB024377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.340 0.420 -1.665 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.851 0.389 -3.106 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.569 1.570 -3.813 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.118 1.518 -5.134 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.046 0.289 -5.768 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.247 -0.890 -5.086 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.697 -0.842 -3.766 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.751 0.806 -0.456 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -1.009 -0.087 -0.854 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.462 1.368 -0.793 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.852 2.487 -0.460 0.00 0.00 -0.273 OA BRANCH 8 14 ATOM 12 C LIG 1 -3.902 0.952 1.165 0.00 0.00 +0.076 A ATOM 13 N LIG 1 -2.846 0.534 0.422 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -1.770 1.344 0.329 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -1.703 2.574 0.964 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -2.792 2.992 1.723 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -3.910 2.172 1.828 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 -8.260 -1.238 2.178 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -6.945 -0.938 1.666 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -6.338 -1.816 0.850 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -5.170 -1.228 0.576 0.00 0.00 +0.144 A ATOM 22 C LIG 1 -5.019 0.025 1.215 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -6.199 0.180 1.917 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 14 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 2.763 0.832 -1.627 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.765 1.852 -1.730 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.426 0.506 -0.358 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.850 -0.968 -0.277 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 4.592 -1.263 1.006 0.00 0.00 -0.046 A ATOM 29 C LIG 1 3.891 -1.622 2.165 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.577 -1.877 3.355 0.00 0.00 +0.019 A ATOM 31 C LIG 1 5.970 -1.771 3.400 0.00 0.00 +0.052 A ATOM 32 C LIG 1 6.674 -1.407 2.248 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.988 -1.152 1.058 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 6.673 -2.033 4.621 0.00 0.00 +0.099 C ATOM 35 N LIG 1 7.242 -2.244 5.611 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9