REMARK Name = BDB018988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.629 0.458 -1.714 0.00 0.00 -0.300 N ATOM 2 C LIG 1 0.670 0.226 -1.189 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.676 -0.405 -1.939 0.00 0.00 -0.025 A ATOM 4 C LIG 1 2.946 -0.625 -1.377 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.262 -0.183 -0.084 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.288 0.492 0.665 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.417 -0.883 -3.342 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.240 -0.142 -3.952 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.014 0.696 0.093 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.940 -0.210 -2.995 0.00 0.00 +0.111 C ENDROOT BRANCH 1 21 ATOM 11 C LIG 1 -3.924 1.797 -0.516 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -4.174 0.919 0.526 0.00 0.00 +0.085 A ATOM 13 N LIG 1 -5.241 0.807 1.441 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -5.000 -0.280 2.309 0.00 0.00 +0.330 A ATOM 15 N LIG 1 -3.768 -0.833 1.914 0.00 0.00 -0.295 N ATOM 16 C LIG 1 -3.128 -1.962 2.525 0.00 0.00 +0.154 C ATOM 17 O LIG 1 -5.715 -0.664 3.221 0.00 0.00 -0.246 OA ATOM 18 C LIG 1 -6.400 1.648 1.504 0.00 0.00 +0.154 C ATOM 19 C LIG 1 -3.265 -0.103 0.829 0.00 0.00 +0.072 A ATOM 20 C LIG 1 -2.092 -0.291 0.124 0.00 0.00 +0.051 A ATOM 21 C LIG 1 -1.814 0.588 -0.932 0.00 0.00 +0.037 A ATOM 22 C LIG 1 -2.734 1.619 -1.242 0.00 0.00 +0.042 A BRANCH 11 24 ATOM 23 C LIG 1 -5.519 3.769 -1.217 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -4.800 2.865 -0.887 0.00 0.00 -0.067 C ENDBRANCH 11 24 ENDBRANCH 1 21 BRANCH 5 25 ATOM 25 C LIG 1 4.600 -0.429 0.414 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.144 -1.684 0.589 0.00 0.00 +0.116 A ATOM 27 N LIG 1 6.408 -1.484 1.061 0.00 0.00 -0.274 N ATOM 28 C LIG 1 7.371 -2.497 1.421 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.741 -0.186 1.176 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.632 0.456 0.795 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 2.549 1.012 2.056 0.00 0.00 +0.372 C ATOM 32 F LIG 1 3.052 0.070 2.901 0.00 0.00 -0.204 F ATOM 33 F LIG 1 3.425 2.055 2.074 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4