REMARK Name = BDB020154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.857 -0.251 -0.552 0.00 0.00 +0.072 A ATOM 2 N LIG 1 0.415 0.160 -0.347 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 0.608 1.479 -0.073 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -0.412 2.416 0.006 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.722 1.988 -0.215 0.00 0.00 -0.023 A ATOM 6 C LIG 1 -1.938 0.631 -0.497 0.00 0.00 +0.033 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 0.666 -1.681 -2.726 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -0.323 -2.379 -1.828 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -1.034 -1.692 -0.812 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.940 -2.429 -0.016 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.132 -3.798 -0.207 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -1.416 -4.451 -1.197 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -1.592 -5.766 -1.381 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -0.517 -3.761 -2.001 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 2.029 1.893 0.155 0.00 0.00 +0.263 C ATOM 16 N LIG 1 2.941 0.875 -0.011 0.00 0.00 -0.306 N ATOM 17 H LIG 1 2.548 -0.053 -0.150 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 2.325 3.040 0.466 0.00 0.00 -0.269 OA BRANCH 16 19 ATOM 19 C LIG 1 4.333 1.034 0.312 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 5.145 -0.080 -0.294 0.00 0.00 -0.028 A ATOM 21 C LIG 1 5.545 -0.010 -1.637 0.00 0.00 +0.045 A ATOM 22 C LIG 1 6.270 -1.055 -2.206 0.00 0.00 +0.142 A ATOM 23 F LIG 1 6.635 -0.957 -3.493 0.00 0.00 -0.204 F ATOM 24 C LIG 1 6.600 -2.180 -1.456 0.00 0.00 +0.076 A ATOM 25 CL LIG 1 7.494 -3.474 -2.156 0.00 0.00 -0.081 Cl ATOM 26 C LIG 1 6.197 -2.268 -0.123 0.00 0.00 +0.023 A ATOM 27 C LIG 1 5.468 -1.222 0.454 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 28 ATOM 28 C LIG 1 -2.880 2.954 -0.115 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 N LIG 1 -3.622 2.749 1.110 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -4.761 1.944 1.250 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -5.434 1.304 0.364 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -5.045 1.472 -0.561 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -5.031 1.971 2.621 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -6.074 1.192 3.238 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -4.074 2.725 3.280 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -3.221 3.202 2.365 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 6