REMARK Name = BDB011288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.552 1.092 -0.468 0.00 0.00 +0.054 A ATOM 2 N LIG 1 0.759 0.430 0.481 0.00 0.00 -0.339 N ATOM 3 C LIG 1 -0.535 0.538 0.062 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.884 0.128 0.533 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.719 0.769 -0.530 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.955 1.489 -1.474 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -2.308 2.189 -2.408 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.588 1.294 -1.073 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.711 1.632 -1.440 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.142 0.734 -0.498 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.936 0.582 -1.656 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.384 0.325 -3.034 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.342 0.615 -1.542 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.962 0.739 -0.301 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.181 0.835 0.839 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.932 0.974 2.382 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.789 0.831 0.747 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.109 -1.374 0.583 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.638 -1.966 1.743 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.871 -3.343 1.798 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.585 -4.140 0.693 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -2.872 -5.835 0.764 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.071 -3.574 -0.469 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.837 -2.197 -0.526 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 3.666 2.089 0.445 0.00 0.00 +0.129 A ATOM 26 C LIG 1 3.012 1.187 -0.407 0.00 0.00 +0.040 A ATOM 27 C LIG 1 3.781 0.350 -1.226 0.00 0.00 +0.017 A ATOM 28 C LIG 1 5.185 0.389 -1.182 0.00 0.00 -0.036 A ATOM 29 C LIG 1 5.816 1.276 -0.298 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.059 2.121 0.514 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 2.768 4.183 0.708 0.00 0.00 +0.277 C ATOM 32 O LIG 1 2.952 2.895 1.297 0.00 0.00 -0.494 OA ENDBRANCH 25 32 BRANCH 28 33 ATOM 33 C LIG 1 5.999 -0.544 -2.047 0.00 0.00 +0.155 C BRANCH 33 34 ATOM 34 C LIG 1 6.169 -1.924 -1.461 0.00 0.00 +0.309 C ATOM 35 O LIG 1 5.698 -2.373 -0.430 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 6.950 -2.705 -2.240 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 6.977 -3.560 -1.760 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 1 26 BRANCH 2 38 ATOM 38 C LIG 1 1.273 -0.229 1.683 0.00 0.00 +0.081 C ATOM 39 C LIG 1 0.500 0.126 2.954 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.409 -1.738 1.498 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 8