REMARK Name = BDB006662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.656 -0.597 -0.468 0.00 0.00 -0.222 N ATOM 2 C LIG 1 1.354 -0.412 -0.096 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.059 -0.966 -0.319 0.00 0.00 +0.271 C ATOM 4 N LIG 1 -0.794 -0.207 0.524 0.00 0.00 -0.239 N ATOM 5 C LIG 1 -0.072 0.826 1.297 0.00 0.00 +0.147 C ATOM 6 O LIG 1 -0.209 -1.900 -1.055 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 1.308 0.587 0.834 0.00 0.00 +0.031 A ATOM 8 C LIG 1 2.627 0.978 1.035 0.00 0.00 +0.066 A ATOM 9 C LIG 1 3.168 2.012 1.946 0.00 0.00 +0.068 C ATOM 10 N LIG 1 3.449 0.262 0.255 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.179 -0.463 0.669 0.00 0.00 +0.131 A ATOM 12 N LIG 1 -2.718 -1.413 -0.118 0.00 0.00 -0.211 NA ATOM 13 C LIG 1 -4.034 -1.612 0.058 0.00 0.00 +0.180 A ATOM 14 C LIG 1 -4.881 -0.961 0.936 0.00 0.00 +0.134 A ATOM 15 N LIG 1 -6.149 -1.460 0.801 0.00 0.00 -0.128 NA ATOM 16 N LIG 1 -6.122 -2.407 -0.134 0.00 0.00 -0.063 NA ATOM 17 C LIG 1 -4.333 0.031 1.758 0.00 0.00 -0.016 A ATOM 18 C LIG 1 -5.126 0.820 2.753 0.00 0.00 +0.046 C ATOM 19 N LIG 1 -4.851 -2.499 -0.578 0.00 0.00 -0.230 N ATOM 20 C LIG 1 -4.501 -3.449 -1.597 0.00 0.00 +0.176 C ATOM 21 C LIG 1 -2.948 0.259 1.599 0.00 0.00 +0.049 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.388 2.263 0.929 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -0.733 2.651 -0.379 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -1.017 3.987 -0.678 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.955 4.950 0.325 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -1.305 6.593 -0.043 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -0.612 4.590 1.625 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.329 3.256 1.926 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 4.536 -1.854 -1.444 0.00 0.00 +0.241 A ATOM 30 C LIG 1 3.204 -1.434 -1.474 0.00 0.00 +0.128 A ATOM 31 C LIG 1 2.424 -1.836 -2.566 0.00 0.00 +0.034 A ATOM 32 C LIG 1 2.980 -2.631 -3.565 0.00 0.00 +0.022 A ATOM 33 C LIG 1 4.305 -2.998 -3.446 0.00 0.00 +0.115 A ATOM 34 N LIG 1 5.090 -2.631 -2.414 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 35 C LIG 1 6.694 -1.877 -0.519 0.00 0.00 +0.279 C ATOM 36 O LIG 1 5.314 -1.584 -0.340 0.00 0.00 -0.478 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4