REMARK Name = BDB055682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.210 -1.603 1.601 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.299 -0.962 0.783 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.700 0.240 1.377 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -2.719 1.005 0.831 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.357 0.558 -0.339 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.941 -0.656 -0.930 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.923 0.519 2.628 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.921 -1.427 -0.366 0.00 0.00 +0.006 A ATOM 9 C LIG 1 0.266 -0.446 2.502 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.199 -3.595 0.952 0.00 0.00 +0.111 A ATOM 11 N LIG 1 0.832 -2.255 0.824 0.00 0.00 -0.316 N ATOM 12 C LIG 1 1.624 -1.716 -0.167 0.00 0.00 +0.135 A ATOM 13 C LIG 1 2.393 -2.770 -0.584 0.00 0.00 +0.096 A ATOM 14 C LIG 1 3.338 -2.606 -1.618 0.00 0.00 +0.048 A ATOM 15 C LIG 1 3.466 -1.398 -2.191 0.00 0.00 +0.091 A ATOM 16 N LIG 1 2.688 -0.306 -1.788 0.00 0.00 -0.309 N ATOM 17 C LIG 1 1.734 -0.395 -0.743 0.00 0.00 +0.277 A ATOM 18 O LIG 1 1.075 0.571 -0.367 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 2.144 -3.916 0.084 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 1.228 -5.914 1.929 0.00 0.00 +0.012 C ATOM 21 C LIG 1 0.585 -4.535 1.946 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 2.896 0.990 -2.430 0.00 0.00 +0.160 C BRANCH 22 23 ATOM 23 C LIG 1 4.094 1.728 -1.875 0.00 0.00 -0.027 A ATOM 24 C LIG 1 4.013 2.379 -0.634 0.00 0.00 +0.008 A ATOM 25 C LIG 1 5.116 3.061 -0.104 0.00 0.00 -0.050 A ATOM 26 C LIG 1 5.023 3.722 1.239 0.00 0.00 +0.044 C ATOM 27 C LIG 1 6.319 3.067 -0.816 0.00 0.00 +0.003 A ATOM 28 C LIG 1 6.412 2.422 -2.050 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.306 1.756 -2.578 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 30 ATOM 30 C LIG 1 -4.456 1.334 -0.932 0.00 0.00 -0.007 A ATOM 31 C LIG 1 -5.753 1.418 -0.365 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -6.714 2.233 -0.998 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -6.421 2.935 -2.168 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.156 2.842 -2.730 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.184 2.052 -2.116 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -6.178 0.710 0.849 0.00 0.00 +0.180 A ATOM 37 N LIG 1 -5.631 -0.439 1.359 0.00 0.00 -0.239 N ATOM 38 H LIG 1 -4.854 -0.992 1.024 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -6.282 -0.824 2.464 0.00 0.00 -0.046 NA ATOM 40 N LIG 1 -7.236 0.077 2.630 0.00 0.00 -0.023 NA ATOM 41 N LIG 1 -7.192 1.025 1.638 0.00 0.00 -0.108 NA ENDBRANCH 31 36 ENDBRANCH 5 30 TORSDOF 6