REMARK Name = BDB024542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.877 -0.141 -0.987 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.974 -0.560 0.006 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.393 -1.569 1.011 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.426 -0.985 1.991 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.252 -2.160 1.853 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.020 -2.383 1.006 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.605 -1.050 0.460 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.249 -0.667 0.387 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.137 -1.357 0.794 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.900 -0.590 0.519 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.491 0.593 -0.069 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.891 0.559 -0.155 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.845 1.457 -0.640 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.190 1.067 -0.572 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.590 -0.167 -0.040 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.644 0.650 -1.896 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.315 1.708 -0.529 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.962 2.490 0.630 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.223 3.253 0.200 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.130 3.730 -1.252 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.992 2.562 -2.232 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.318 1.327 -1.627 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.489 4.392 1.155 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.283 4.371 2.082 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.716 5.471 0.943 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.982 6.099 1.648 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.041 -0.388 -1.880 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.093 -0.756 -0.876 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.308 -0.991 0.824 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.778 -2.100 -0.121 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -4.229 -2.447 0.109 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.596 -3.295 1.163 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.938 -3.599 1.392 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.926 -3.055 0.573 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.572 -2.209 -0.476 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.230 -1.904 -0.707 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7