REMARK Name = BDB063109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.069 0.043 -0.303 0.00 0.00 +0.105 A ATOM 2 C LIG 1 -1.162 -1.357 0.203 0.00 0.00 +0.284 A ATOM 3 O LIG 1 -2.284 -1.843 0.352 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 0.056 -2.002 0.464 0.00 0.00 -0.194 N ATOM 5 N LIG 1 1.276 -1.375 0.316 0.00 0.00 -0.163 NA ATOM 6 C LIG 1 1.315 -0.148 -0.091 0.00 0.00 +0.093 A ATOM 7 C LIG 1 0.124 0.632 -0.449 0.00 0.00 +0.048 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 0.174 -3.361 0.926 0.00 0.00 +0.087 A ATOM 9 C LIG 1 1.429 -3.912 1.220 0.00 0.00 +0.138 A ATOM 10 N LIG 1 1.657 -5.181 1.657 0.00 0.00 -0.261 NA ATOM 11 C LIG 1 0.575 -5.963 1.817 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.713 -5.535 1.560 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -0.910 -4.225 1.111 0.00 0.00 +0.031 A ENDBRANCH 4 8 BRANCH 6 14 ATOM 14 C LIG 1 2.639 0.522 -0.235 0.00 0.00 +0.002 A ATOM 15 C LIG 1 3.744 -0.249 -0.614 0.00 0.00 +0.013 A ATOM 16 C LIG 1 5.001 0.345 -0.750 0.00 0.00 +0.046 A ATOM 17 C LIG 1 5.179 1.710 -0.503 0.00 0.00 +0.130 A ATOM 18 C LIG 1 4.080 2.476 -0.110 0.00 0.00 +0.046 A ATOM 19 C LIG 1 2.817 1.885 0.028 0.00 0.00 +0.013 A BRANCH 17 20 ATOM 20 O LIG 1 6.459 2.151 -0.676 0.00 0.00 -0.406 OA BRANCH 20 21 ATOM 21 C LIG 1 6.723 3.525 -0.449 0.00 0.00 +0.575 C ATOM 22 F LIG 1 6.451 3.868 0.828 0.00 0.00 -0.133 F ATOM 23 F LIG 1 6.003 4.303 -1.286 0.00 0.00 -0.133 F ATOM 24 F LIG 1 8.033 3.760 -0.678 0.00 0.00 -0.133 F ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 6 14 BRANCH 1 26 ATOM 25 O LIG 1 -2.128 2.050 -1.028 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -2.251 0.876 -0.684 0.00 0.00 +0.250 C ATOM 27 N LIG 1 -3.475 0.269 -0.616 0.00 0.00 -0.308 N ATOM 28 H LIG 1 -3.536 -0.655 -0.183 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.715 0.991 -0.857 0.00 0.00 +0.144 C BRANCH 29 30 ATOM 30 C LIG 1 -5.110 1.884 0.322 0.00 0.00 +0.235 C BRANCH 30 31 ATOM 31 C LIG 1 -6.313 2.743 -0.070 0.00 0.00 +0.417 C ATOM 32 F LIG 1 -6.017 3.593 -1.076 0.00 0.00 -0.168 F ATOM 33 F LIG 1 -7.367 1.993 -0.459 0.00 0.00 -0.168 F ATOM 34 F LIG 1 -6.714 3.488 0.989 0.00 0.00 -0.168 F ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 O LIG 1 -5.377 1.049 1.474 0.00 0.00 -0.381 OA ATOM 36 H LIG 1 -5.744 1.627 2.169 0.00 0.00 +0.210 HD ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 26 TORSDOF 9