REMARK Name = BDB046167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.671 -1.395 -1.313 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -4.802 -0.803 -0.734 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.783 0.246 0.166 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -6.160 0.480 0.466 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.943 -0.362 -0.228 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.540 0.791 0.526 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.374 0.235 -0.023 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -6.093 -1.165 -0.962 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -2.431 -0.841 -0.919 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -6.741 1.470 1.370 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -6.165 1.730 2.622 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -6.727 2.682 3.476 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -7.870 3.380 3.090 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -8.457 3.123 1.853 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.897 2.171 0.998 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -3.768 -2.551 -2.276 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -4.495 -4.351 -0.621 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.456 -3.910 -1.643 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -1.327 -1.426 -1.490 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 -0.039 -1.008 -1.037 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 1.002 -1.867 -1.752 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 2.415 -1.589 -1.256 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 2.722 -0.215 -1.484 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 3.950 0.228 -1.079 0.00 0.00 +0.121 A ATOM 25 C LIG 1 4.180 1.587 -1.291 0.00 0.00 +0.049 A ATOM 26 C LIG 1 5.395 2.166 -0.919 0.00 0.00 +0.049 A ATOM 27 C LIG 1 6.402 1.395 -0.337 0.00 0.00 +0.122 A ATOM 28 C LIG 1 6.171 0.037 -0.118 0.00 0.00 +0.049 A ATOM 29 C LIG 1 4.950 -0.545 -0.490 0.00 0.00 +0.049 A BRANCH 27 30 ATOM 30 O LIG 1 7.533 2.088 -0.016 0.00 0.00 -0.478 OA BRANCH 30 31 ATOM 31 C LIG 1 8.717 1.363 0.323 0.00 0.00 +0.278 C ATOM 32 C LIG 1 8.786 1.188 1.836 0.00 0.00 +0.064 C BRANCH 31 33 ATOM 33 C LIG 1 9.922 2.175 -0.147 0.00 0.00 +0.346 C ATOM 34 O LIG 1 9.927 3.267 -0.693 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 11.095 1.538 0.070 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 11.762 2.160 -0.291 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13