REMARK Name = BDB032148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.866 -3.369 0.007 0.00 0.00 -0.007 A ATOM 2 C LIG 1 -2.524 -2.191 0.393 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -3.532 -1.714 -0.427 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -4.375 -0.523 -0.271 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -5.269 -0.522 -1.328 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.985 -1.585 -2.285 0.00 0.00 +0.147 C ATOM 7 O LIG 1 -4.255 0.296 0.616 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.901 -2.342 -1.611 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.251 -3.489 -2.002 0.00 0.00 +0.129 A ATOM 10 F LIG 1 -3.586 -4.103 -3.142 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -2.233 -4.008 -1.201 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -6.192 0.559 -1.656 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -5.415 1.806 -2.079 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -4.666 1.810 -3.057 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -5.545 2.922 -1.294 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -5.016 3.732 -1.587 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -6.190 3.049 -0.092 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -6.178 4.120 0.511 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -6.880 1.828 0.459 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.278 0.838 -0.620 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 -0.743 -3.924 0.846 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 0.510 -3.503 0.294 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 2.240 -2.142 0.222 0.00 0.00 -0.250 N ATOM 24 H LIG 1 2.433 -2.776 -0.541 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 1.077 -2.416 0.881 0.00 0.00 +0.405 C ATOM 26 O LIG 1 0.596 -1.819 1.831 0.00 0.00 -0.226 OA BRANCH 23 30 ATOM 27 C LIG 1 5.086 0.863 0.783 0.00 0.00 +0.071 A ATOM 28 N LIG 1 5.248 -0.055 -0.200 0.00 0.00 -0.253 NA ATOM 29 C LIG 1 4.289 -1.003 -0.331 0.00 0.00 +0.134 A ATOM 30 C LIG 1 3.155 -1.103 0.471 0.00 0.00 +0.055 A ATOM 31 C LIG 1 3.011 -0.153 1.475 0.00 0.00 +0.027 A ATOM 32 C LIG 1 3.982 0.840 1.633 0.00 0.00 +0.030 A BRANCH 27 35 ATOM 33 C LIG 1 7.976 0.153 1.191 0.00 0.00 +0.044 C ATOM 34 C LIG 1 7.498 1.578 1.093 0.00 0.00 -0.041 A ATOM 35 C LIG 1 6.133 1.895 0.893 0.00 0.00 +0.003 A ATOM 36 C LIG 1 5.771 3.255 0.801 0.00 0.00 +0.010 A ATOM 37 C LIG 1 6.724 4.271 0.897 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.062 3.949 1.083 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.448 2.613 1.176 0.00 0.00 +0.004 A ENDBRANCH 27 35 ENDBRANCH 23 30 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6