REMARK Name = BDB032373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.281 -0.076 -0.001 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.566 -1.137 -0.568 0.00 0.00 +0.042 A ATOM 3 C LIG 1 0.806 -1.021 -0.783 0.00 0.00 +0.128 A ATOM 4 F LIG 1 1.458 -2.058 -1.329 0.00 0.00 -0.205 F ATOM 5 C LIG 1 1.501 0.140 -0.444 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.780 1.208 0.110 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.596 1.101 0.331 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.772 -0.184 0.220 0.00 0.00 +0.050 C BRANCH 8 9 ATOM 9 C LIG 1 -3.565 0.307 -1.005 0.00 0.00 +0.089 C BRANCH 9 14 ATOM 10 C LIG 1 -9.186 0.127 0.012 0.00 0.00 +0.105 C ATOM 11 N LIG 1 -7.811 0.292 -0.439 0.00 0.00 -0.303 NA ATOM 12 C LIG 1 -7.163 -1.007 -0.704 0.00 0.00 +0.099 C ATOM 13 C LIG 1 -5.613 -1.011 -0.585 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -5.024 0.293 -0.889 0.00 0.00 -0.300 NA ATOM 15 C LIG 1 -5.571 1.354 -0.028 0.00 0.00 +0.100 C ATOM 16 C LIG 1 -7.012 1.094 0.493 0.00 0.00 +0.099 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 17 ATOM 17 C LIG 1 2.980 0.253 -0.709 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 N LIG 1 3.671 0.667 0.519 0.00 0.00 -0.339 N ATOM 19 H LIG 1 3.446 0.028 1.276 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 5.075 0.752 0.333 0.00 0.00 +0.035 A ATOM 21 C LIG 1 5.961 -0.326 0.628 0.00 0.00 +0.008 A ATOM 22 C LIG 1 7.347 -0.172 0.373 0.00 0.00 +0.023 A ATOM 23 C LIG 1 8.207 -1.255 0.688 0.00 0.00 +0.124 A ATOM 24 N LIG 1 7.774 -2.418 1.204 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 6.456 -2.547 1.427 0.00 0.00 +0.113 A ATOM 26 C LIG 1 7.806 1.044 -0.188 0.00 0.00 +0.012 A ATOM 27 C LIG 1 6.929 2.079 -0.500 0.00 0.00 +0.003 A ATOM 28 C LIG 1 5.530 -1.555 1.162 0.00 0.00 +0.030 A ATOM 29 C LIG 1 5.573 1.928 -0.248 0.00 0.00 +0.023 A BRANCH 23 30 ATOM 30 N LIG 1 9.592 -1.177 0.469 0.00 0.00 -0.343 N ATOM 31 H LIG 1 9.766 -1.013 -0.517 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 9.971 -0.402 1.003 0.00 0.00 +0.144 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 7