REMARK Name = BDB011186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.623 4.790 0.461 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -2.834 3.461 0.039 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -3.923 3.165 -0.703 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -4.177 1.883 -1.023 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -3.327 0.850 -0.699 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -2.130 1.128 -0.063 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -1.187 0.045 -0.002 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -1.629 -1.294 -0.117 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -0.814 -2.216 -0.171 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -3.010 -1.479 -0.234 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -3.693 -0.534 -0.988 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -4.543 -0.727 -1.851 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -1.912 2.453 0.425 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -0.885 2.816 1.332 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -0.698 4.130 1.752 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.554 5.121 1.300 0.00 0.00 +0.048 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 -3.613 -2.773 0.060 0.00 0.00 +0.058 A ATOM 18 C LIG 1 -4.941 -3.077 -0.302 0.00 0.00 +0.076 A ATOM 19 C LIG 1 -5.479 -4.304 0.044 0.00 0.00 +0.168 A ATOM 20 O LIG 1 -6.739 -4.727 -0.253 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 -6.728 -6.045 0.333 0.00 0.00 +0.466 C ATOM 22 O LIG 1 -5.486 -6.367 0.994 0.00 0.00 -0.453 OA ATOM 23 C LIG 1 -4.772 -5.237 0.754 0.00 0.00 +0.166 A ATOM 24 C LIG 1 -3.489 -4.987 1.168 0.00 0.00 +0.051 A ATOM 25 C LIG 1 -2.921 -3.749 0.829 0.00 0.00 +0.030 A ENDBRANCH 10 17 BRANCH 7 26 ATOM 26 C LIG 1 0.256 0.332 -0.240 0.00 0.00 +0.095 C ATOM 27 C LIG 1 0.731 -0.096 -1.641 0.00 0.00 +0.044 C ATOM 28 C LIG 1 2.173 0.345 -1.868 0.00 0.00 +0.113 C ATOM 29 N LIG 1 3.064 -0.073 -0.792 0.00 0.00 -0.267 N ATOM 30 C LIG 1 4.415 -0.213 -1.104 0.00 0.00 +0.403 C ATOM 31 O LIG 1 4.853 -0.176 -2.247 0.00 0.00 -0.226 OA ATOM 32 C LIG 1 2.628 0.178 0.579 0.00 0.00 +0.113 C ATOM 33 C LIG 1 1.188 -0.264 0.824 0.00 0.00 +0.044 C BRANCH 30 34 ATOM 34 O LIG 1 5.183 -0.387 0.003 0.00 0.00 -0.445 OA BRANCH 34 35 ATOM 35 C LIG 1 6.618 -0.568 -0.100 0.00 0.00 +0.107 C ATOM 36 C LIG 1 7.296 0.672 -0.694 0.00 0.00 +0.055 C ATOM 37 C LIG 1 7.091 -0.736 1.352 0.00 0.00 +0.055 C ATOM 38 C LIG 1 6.966 -1.842 -0.877 0.00 0.00 +0.055 C ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 7 26 BRANCH 1 40 ATOM 39 C LIG 1 -3.373 7.070 0.381 0.00 0.00 +0.277 C ATOM 40 O LIG 1 -3.542 5.711 0.005 0.00 0.00 -0.493 OA ENDBRANCH 1 40 TORSDOF 5