REMARK Name = BDB025240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.904 -3.319 0.594 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.531 -3.172 0.861 0.00 0.00 -0.234 N ATOM 3 C LIG 1 2.751 -4.420 1.005 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.089 -5.145 2.318 0.00 0.00 +0.028 C ATOM 5 C LIG 1 1.225 -4.242 0.945 0.00 0.00 +0.027 C ATOM 6 C LIG 1 0.848 -3.187 -0.072 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.495 -1.902 0.360 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.817 -0.668 0.297 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.461 -0.409 -0.112 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.655 0.884 0.019 0.00 0.00 +0.202 A ATOM 11 N LIG 1 0.503 1.494 0.479 0.00 0.00 -0.308 N ATOM 12 C LIG 1 1.447 0.502 0.694 0.00 0.00 +0.071 A ATOM 13 C LIG 1 2.757 0.507 1.181 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.427 -0.723 1.235 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.831 -1.920 0.815 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.491 -4.398 0.637 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.770 2.919 0.658 0.00 0.00 +0.091 C ATOM 18 C LIG 1 0.066 3.512 1.887 0.00 0.00 +0.026 C ATOM 19 C LIG 1 0.445 4.979 2.088 0.00 0.00 +0.017 C ATOM 20 C LIG 1 0.191 5.820 0.827 0.00 0.00 +0.098 C ATOM 21 C LIG 1 0.913 5.223 -0.385 0.00 0.00 +0.017 C ATOM 22 C LIG 1 0.531 3.760 -0.608 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 0.640 7.256 1.042 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.411 7.622 1.915 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.100 8.119 0.152 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.498 7.712 -0.502 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.913 -2.332 -0.122 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.534 -2.171 0.211 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -1.800 1.578 -0.211 0.00 0.00 -0.268 N ATOM 30 H LIG 1 -1.908 2.469 0.244 0.00 0.00 +0.156 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.896 1.127 -0.873 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -2.986 0.079 -1.693 0.00 0.00 -0.156 NA ATOM 33 N LIG 1 -4.273 0.029 -2.058 0.00 0.00 -0.267 N ATOM 34 C LIG 1 -5.010 1.068 -1.570 0.00 0.00 +0.110 A ATOM 35 C LIG 1 -4.143 1.801 -0.794 0.00 0.00 +0.065 A BRANCH 33 36 ATOM 36 C LIG 1 -4.734 -1.034 -2.924 0.00 0.00 +0.177 C BRANCH 36 37 ATOM 37 C LIG 1 -4.865 -2.421 -2.263 0.00 0.00 +0.080 C ATOM 38 C LIG 1 -5.735 -2.385 -1.003 0.00 0.00 +0.043 C ATOM 39 C LIG 1 -3.506 -3.060 -1.960 0.00 0.00 +0.043 C BRANCH 37 40 ATOM 40 O LIG 1 -5.539 -3.270 -3.214 0.00 0.00 -0.387 OA ATOM 41 H LIG 1 -5.561 -4.171 -2.845 0.00 0.00 +0.210 HD ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 9