REMARK Name = BDB018589 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.566 -6.147 0.495 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -2.739 -4.703 0.451 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -4.021 -4.174 0.413 0.00 0.00 +0.252 A ATOM 4 O LIG 1 -5.058 -4.830 0.404 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -4.105 -2.694 0.377 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -3.006 -1.915 0.399 0.00 0.00 -0.003 A ATOM 7 C LIG 1 -1.676 -2.555 0.475 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -1.613 -3.901 0.489 0.00 0.00 +0.098 A ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -3.215 -0.460 0.323 0.00 0.00 -0.011 A ATOM 10 C LIG 1 -2.897 0.187 -0.814 0.00 0.00 +0.078 A ATOM 11 C LIG 1 -3.063 1.657 -0.940 0.00 0.00 +0.252 A ATOM 12 O LIG 1 -2.730 2.214 -1.982 0.00 0.00 -0.268 OA ATOM 13 N LIG 1 -3.594 2.310 0.169 0.00 0.00 -0.313 N ATOM 14 C LIG 1 -3.909 1.639 1.334 0.00 0.00 +0.090 A ATOM 15 C LIG 1 -3.742 0.316 1.435 0.00 0.00 +0.026 A BRANCH 13 16 ATOM 16 C LIG 1 -3.754 3.760 0.105 0.00 0.00 +0.152 C BRANCH 16 17 ATOM 17 C LIG 1 -2.453 4.507 0.403 0.00 0.00 +0.177 C BRANCH 17 18 ATOM 18 O LIG 1 -2.646 5.913 0.269 0.00 0.00 -0.393 OA ATOM 19 H LIG 1 -2.711 6.100 -0.684 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 6 9 BRANCH 7 20 ATOM 20 C LIG 1 -0.480 -1.772 0.544 0.00 0.00 +0.022 A ATOM 21 C LIG 1 0.582 -1.816 -0.332 0.00 0.00 +0.123 A ATOM 22 N LIG 1 1.513 -0.887 0.103 0.00 0.00 -0.238 N ATOM 23 N LIG 1 1.084 -0.279 1.231 0.00 0.00 -0.174 NA ATOM 24 C LIG 1 -0.111 -0.806 1.490 0.00 0.00 +0.143 A BRANCH 22 25 ATOM 25 C LIG 1 2.756 -0.536 -0.510 0.00 0.00 +0.083 A ATOM 26 C LIG 1 3.712 0.297 0.128 0.00 0.00 +0.081 A ATOM 27 C LIG 1 4.916 0.657 -0.545 0.00 0.00 -0.025 A ATOM 28 C LIG 1 5.141 0.129 -1.829 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.214 -0.698 -2.451 0.00 0.00 +0.002 A ATOM 30 C LIG 1 3.028 -1.025 -1.801 0.00 0.00 +0.029 A BRANCH 27 31 ATOM 31 C LIG 1 5.976 1.546 0.089 0.00 0.00 +0.020 C ATOM 32 C LIG 1 5.662 2.997 0.382 0.00 0.00 +0.009 C ATOM 33 C LIG 1 6.634 2.655 -0.703 0.00 0.00 +0.009 C ENDBRANCH 27 31 BRANCH 26 34 ATOM 34 C LIG 1 3.569 0.769 1.485 0.00 0.00 +0.102 C ATOM 35 N LIG 1 3.552 1.164 2.579 0.00 0.00 -0.191 NA ENDBRANCH 26 34 ENDBRANCH 22 25 ENDBRANCH 7 20 TORSDOF 8