REMARK Name = BDB045236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.223 -1.099 0.020 0.00 0.00 +0.247 C ATOM 2 N LIG 1 0.813 -1.334 -1.227 0.00 0.00 -0.295 N ATOM 3 O LIG 1 0.782 -0.542 0.962 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 -3.508 -1.034 0.443 0.00 0.00 +0.163 A ATOM 5 C LIG 1 -3.772 -2.392 0.730 0.00 0.00 +0.162 A ATOM 6 C LIG 1 -2.716 -3.311 0.788 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -1.405 -2.892 0.557 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.159 -1.553 0.252 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -2.195 -0.618 0.208 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 -5.091 -2.715 0.942 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 -5.397 -4.061 1.277 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 -4.600 -0.202 0.407 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 -4.361 1.201 0.281 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 -5.710 1.912 0.365 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 -5.561 3.426 0.374 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 -4.764 5.261 -0.872 0.00 0.00 +0.193 C ATOM 17 O LIG 1 -4.898 3.846 -0.817 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 0.079 -1.866 -2.400 0.00 0.00 +0.070 C ATOM 19 C LIG 1 0.884 -2.907 -3.182 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -0.397 -0.732 -3.311 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 2.173 -0.798 -1.429 0.00 0.00 +0.115 C BRANCH 21 22 ATOM 22 C LIG 1 3.248 -1.735 -0.867 0.00 0.00 +0.050 C ATOM 23 C LIG 1 3.801 -1.371 0.511 0.00 0.00 +0.138 C ATOM 24 C LIG 1 5.172 -2.072 0.525 0.00 0.00 +0.112 C ATOM 25 N LIG 1 5.489 -2.464 -0.867 0.00 0.00 -0.313 NA ATOM 26 H LIG 1 5.321 -3.466 -0.966 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 4.520 -1.739 -1.703 0.00 0.00 +0.088 C BRANCH 23 28 ATOM 28 O LIG 1 3.980 0.045 0.605 0.00 0.00 -0.370 OA BRANCH 28 29 ATOM 29 C LIG 1 3.993 0.507 1.953 0.00 0.00 +0.195 C BRANCH 29 30 ATOM 30 C LIG 1 3.963 2.012 1.934 0.00 0.00 -0.022 A ATOM 31 C LIG 1 2.778 2.683 1.599 0.00 0.00 +0.006 A ATOM 32 C LIG 1 2.735 4.078 1.572 0.00 0.00 +0.000 A ATOM 33 C LIG 1 3.878 4.815 1.876 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.065 4.159 2.201 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.109 2.763 2.227 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 13