REMARK Name = BDB054288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.633 -0.220 0.735 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.755 -1.259 1.069 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.397 -1.007 1.282 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.109 0.291 1.165 0.00 0.00 -0.046 A ATOM 5 C LIG 1 0.765 1.327 0.821 0.00 0.00 +0.005 A ATOM 6 C LIG 1 2.125 1.073 0.607 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 6.204 -0.428 0.043 0.00 0.00 -0.269 N ATOM 8 H LIG 1 6.059 -1.389 -0.224 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 5.056 0.301 0.328 0.00 0.00 +0.308 C ATOM 10 N LIG 1 3.986 -0.561 0.527 0.00 0.00 -0.269 N ATOM 11 H LIG 1 4.223 -1.528 0.681 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 4.997 1.521 0.393 0.00 0.00 -0.252 OA BRANCH 7 15 ATOM 13 C LIG 1 9.824 -0.448 -0.745 0.00 0.00 -0.046 A ATOM 14 C LIG 1 8.488 -0.843 -0.571 0.00 0.00 +0.027 A ATOM 15 C LIG 1 7.518 0.061 -0.114 0.00 0.00 +0.035 A ATOM 16 C LIG 1 7.901 1.370 0.179 0.00 0.00 +0.023 A ATOM 17 C LIG 1 9.228 1.774 0.003 0.00 0.00 +0.002 A ATOM 18 C LIG 1 10.184 0.872 -0.459 0.00 0.00 +0.004 A BRANCH 13 20 ATOM 19 C LIG 1 10.919 -1.425 -2.779 0.00 0.00 +0.009 C ATOM 20 C LIG 1 10.851 -1.425 -1.259 0.00 0.00 +0.032 C ENDBRANCH 13 20 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 4 21 ATOM 21 C LIG 1 -1.580 0.561 1.373 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 -2.377 0.372 0.077 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 N LIG 1 -3.792 0.667 0.278 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -4.216 1.248 -0.438 0.00 0.00 +0.147 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.616 -0.374 0.698 0.00 0.00 +0.134 A ATOM 26 C LIG 1 -6.006 -0.352 0.511 0.00 0.00 +0.098 A ATOM 27 C LIG 1 -6.715 -1.439 0.998 0.00 0.00 +0.234 A ATOM 28 O LIG 1 -8.043 -1.282 0.755 0.00 0.00 -0.435 OA ATOM 29 C LIG 1 -8.211 -0.092 0.101 0.00 0.00 +0.157 A ATOM 30 N LIG 1 -6.223 -2.514 1.626 0.00 0.00 -0.200 NA ATOM 31 C LIG 1 -4.896 -2.436 1.751 0.00 0.00 +0.227 A ATOM 32 C LIG 1 -6.978 0.513 -0.064 0.00 0.00 +0.099 A ATOM 33 CL LIG 1 -6.629 2.016 -0.787 0.00 0.00 -0.079 Cl ATOM 34 N LIG 1 -4.084 -1.450 1.328 0.00 0.00 -0.220 NA BRANCH 29 35 ATOM 35 C LIG 1 -9.593 0.227 -0.249 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -9.903 0.981 -1.389 0.00 0.00 +0.011 A ATOM 37 C LIG 1 -11.230 1.283 -1.710 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -12.267 0.832 -0.897 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -11.978 0.076 0.235 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -10.651 -0.225 0.555 0.00 0.00 +0.011 A ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 8