REMARK Name = BDB024225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.916 -0.177 -0.800 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.646 -1.605 -1.257 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.241 -2.428 -0.545 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.485 -3.739 -0.958 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.161 -4.249 -2.082 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.056 -3.452 -2.791 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.299 -2.140 -2.380 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.628 1.188 -2.333 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.622 1.775 -3.155 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.635 0.843 -1.949 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.558 1.390 -2.574 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.358 0.454 -0.659 0.00 0.00 +0.084 A ATOM 13 C LIG 1 3.176 0.084 -0.034 0.00 0.00 +0.140 A ATOM 14 N LIG 1 1.940 0.304 -0.555 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.861 0.908 -1.750 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.997 1.324 -2.440 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.262 1.092 -1.893 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 7.385 -1.181 2.723 0.00 0.00 +0.067 C ATOM 19 C LIG 1 6.950 -0.543 1.457 0.00 0.00 +0.060 A ATOM 20 N LIG 1 5.649 -0.442 1.168 0.00 0.00 -0.172 NA ATOM 21 N LIG 1 5.599 0.179 -0.037 0.00 0.00 -0.238 N ATOM 22 C LIG 1 6.864 0.466 -0.502 0.00 0.00 +0.115 A ATOM 23 C LIG 1 7.753 0.012 0.443 0.00 0.00 +0.044 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.344 -0.041 -0.394 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.601 0.943 -0.490 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.577 -0.483 0.983 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.066 -0.400 1.408 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -4.963 -1.288 0.534 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.551 1.041 1.521 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.449 1.705 2.754 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.868 3.032 2.890 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.391 3.719 1.792 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.491 3.072 0.558 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.074 1.744 0.424 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.818 5.080 1.930 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.162 6.182 2.046 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9