REMARK Name = BDB025069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.876 2.374 1.210 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.779 2.215 0.352 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.816 3.007 -0.886 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.404 2.199 -2.047 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.446 3.605 -1.189 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.406 2.516 -1.347 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.504 1.470 -0.271 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.425 0.574 -0.081 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.223 0.530 -0.741 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.462 -0.461 -0.204 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.291 -1.109 0.757 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.498 -0.437 0.864 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.628 -0.618 1.660 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.698 0.268 1.466 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.661 1.322 0.539 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.919 2.934 0.876 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.056 -2.300 1.530 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -0.480 -3.507 0.673 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -1.897 -3.669 0.664 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -2.440 -3.986 1.947 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -1.738 -3.279 3.107 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.055 -1.996 2.655 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.753 2.177 3.381 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.670 1.935 2.483 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -1.856 -0.827 -0.622 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.647 0.401 -1.108 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -3.874 -0.027 -1.903 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.014 -0.546 -1.265 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -6.133 -0.946 -2.007 0.00 0.00 -0.050 A ATOM 30 C LIG 1 -7.358 -1.480 -1.325 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -6.107 -0.824 -3.401 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -4.977 -0.321 -4.045 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.864 0.071 -3.301 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 -3.022 1.304 0.066 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -2.957 0.989 1.246 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.498 2.515 -0.323 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -3.543 2.607 -1.294 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7