REMARK Name = BDB026865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.421 0.992 -0.032 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.066 2.404 -0.481 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.450 2.667 -1.761 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.760 3.973 -2.148 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.545 5.032 -1.270 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.013 4.790 -0.005 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.296 3.486 0.385 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 0.431 -0.776 -1.455 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 0.646 -0.049 -0.478 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 1.901 -0.149 0.279 0.00 0.00 +0.044 A ATOM 11 C LIG 1 2.969 -1.087 0.066 0.00 0.00 +0.010 A ATOM 12 C LIG 1 3.964 -0.819 1.008 0.00 0.00 +0.047 A ATOM 13 C LIG 1 5.155 -1.551 1.087 0.00 0.00 +0.026 A ATOM 14 C LIG 1 5.339 -2.593 0.174 0.00 0.00 +0.002 A ATOM 15 C LIG 1 4.369 -2.888 -0.778 0.00 0.00 +0.001 A ATOM 16 N LIG 1 3.529 0.241 1.765 0.00 0.00 -0.360 N ATOM 17 H LIG 1 4.056 0.656 2.522 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 3.184 -2.146 -0.843 0.00 0.00 +0.011 A ATOM 19 C LIG 1 2.292 0.650 1.341 0.00 0.00 +0.095 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 N LIG 1 -1.763 0.637 -0.575 0.00 0.00 -0.301 NA ATOM 21 H LIG 1 -1.616 0.382 -1.557 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.358 -0.500 0.138 0.00 0.00 +0.103 C BRANCH 22 23 ATOM 23 C LIG 1 -3.712 -0.874 -0.474 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -4.334 -1.977 0.230 0.00 0.00 -0.336 N ATOM 25 C LIG 1 -4.124 -3.303 -0.019 0.00 0.00 +0.199 A ATOM 26 N LIG 1 -4.830 -4.058 0.793 0.00 0.00 -0.244 NA ATOM 27 C LIG 1 -5.530 -3.183 1.584 0.00 0.00 +0.130 A ATOM 28 C LIG 1 -5.237 -1.882 1.250 0.00 0.00 +0.107 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 7