REMARK Name = BDB024196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.645 -1.841 -0.857 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.420 -3.309 -1.240 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.974 -3.621 -2.539 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.757 -4.945 -2.926 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.998 -5.982 -2.029 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.465 -5.696 -0.749 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.681 -4.372 -0.359 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.222 -1.445 -0.753 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.231 -2.374 -0.358 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.425 -0.943 -1.225 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.601 0.119 -1.820 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.569 0.356 -1.028 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.382 0.940 -1.483 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.137 0.399 -1.404 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.024 -0.822 -0.873 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.134 -1.517 -0.413 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.401 -0.925 -0.500 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 6.739 2.005 2.528 0.00 0.00 +0.105 C ATOM 19 N LIG 1 6.480 1.887 1.095 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 6.412 0.465 0.688 0.00 0.00 +0.103 C ATOM 21 C LIG 1 6.062 0.293 -0.811 0.00 0.00 +0.120 C ATOM 22 N LIG 1 4.804 0.991 -1.152 0.00 0.00 -0.326 N ATOM 23 C LIG 1 4.873 2.424 -0.771 0.00 0.00 +0.120 C ATOM 24 C LIG 1 5.219 2.574 0.732 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.965 -1.667 0.587 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.131 -1.899 1.126 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.359 -0.295 0.946 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.662 0.196 0.297 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.028 1.581 0.777 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.969 1.759 1.800 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.290 3.043 2.248 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.670 4.161 1.680 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.728 3.989 0.662 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.408 2.706 0.214 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.999 5.477 2.143 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.266 6.542 2.522 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9