REMARK Name = BDB021764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.493 1.272 0.636 0.00 0.00 -0.278 N ATOM 2 C LIG 1 2.606 0.419 0.616 0.00 0.00 +0.307 C ATOM 3 N LIG 1 2.316 -0.914 0.413 0.00 0.00 -0.269 N ATOM 4 H LIG 1 1.446 -1.106 -0.053 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 3.750 0.845 0.763 0.00 0.00 -0.252 OA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 3.203 -2.007 0.512 0.00 0.00 +0.038 A ATOM 7 C LIG 1 4.469 -1.932 1.103 0.00 0.00 +0.036 A ATOM 8 C LIG 1 5.303 -3.065 1.186 0.00 0.00 +0.059 A ATOM 9 C LIG 1 4.850 -4.281 0.660 0.00 0.00 +0.050 A ATOM 10 C LIG 1 3.587 -4.354 0.087 0.00 0.00 +0.126 A ATOM 11 F LIG 1 3.155 -5.522 -0.405 0.00 0.00 -0.205 F ATOM 12 C LIG 1 2.762 -3.236 0.013 0.00 0.00 +0.061 A BRANCH 8 13 ATOM 13 C LIG 1 6.673 -2.954 1.805 0.00 0.00 +0.418 C ATOM 14 F LIG 1 6.697 -2.160 2.910 0.00 0.00 -0.166 F ATOM 15 F LIG 1 7.176 -4.156 2.204 0.00 0.00 -0.166 F ATOM 16 F LIG 1 7.591 -2.435 0.945 0.00 0.00 -0.166 F ENDBRANCH 8 13 ENDBRANCH 3 6 BRANCH 1 20 ATOM 17 N LIG 1 -2.765 0.929 -0.060 0.00 0.00 -0.296 NA ATOM 18 C LIG 1 -2.309 1.032 1.332 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -0.911 1.649 1.401 0.00 0.00 +0.038 C ATOM 20 C LIG 1 0.079 0.817 0.576 0.00 0.00 +0.080 C ATOM 21 C LIG 1 -0.439 0.680 -0.861 0.00 0.00 +0.038 C ATOM 22 C LIG 1 -1.859 0.107 -0.870 0.00 0.00 +0.087 C BRANCH 17 24 ATOM 23 C LIG 1 -4.765 0.941 -1.543 0.00 0.00 +0.029 C ATOM 24 C LIG 1 -4.199 0.566 -0.162 0.00 0.00 +0.084 C BRANCH 24 25 ATOM 25 C LIG 1 -4.548 -0.859 0.259 0.00 0.00 -0.031 A ATOM 26 C LIG 1 -4.962 -1.109 1.580 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -5.284 -2.401 2.002 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.200 -3.466 1.109 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.794 -3.240 -0.203 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.471 -1.948 -0.625 0.00 0.00 +0.005 A ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 1 31 ATOM 31 C LIG 1 1.786 2.715 0.643 0.00 0.00 +0.144 C BRANCH 31 32 ATOM 32 C LIG 1 1.667 3.359 -0.720 0.00 0.00 -0.030 A ATOM 33 C LIG 1 2.553 3.010 -1.751 0.00 0.00 +0.005 A ATOM 34 C LIG 1 2.446 3.601 -3.010 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.457 4.552 -3.253 0.00 0.00 +0.000 A ATOM 36 C LIG 1 0.577 4.915 -2.235 0.00 0.00 +0.000 A ATOM 37 C LIG 1 0.683 4.325 -0.974 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 7