REMARK Name = BDB024629 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.367 -0.737 0.621 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.108 -1.346 0.770 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.016 -2.770 1.178 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.444 -2.960 2.645 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.623 -3.402 1.026 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.951 -2.918 -0.238 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.822 -1.427 -0.135 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.657 -0.753 -0.557 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.498 -1.276 -1.075 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.307 -0.258 -1.286 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.680 0.935 -0.974 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.574 0.631 -0.478 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.627 1.402 0.023 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.784 0.726 0.434 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.907 -0.668 0.359 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.579 0.413 0.251 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.225 2.277 -1.170 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.423 3.093 -2.194 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.086 4.437 -2.519 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -1.794 5.101 -1.324 0.00 0.00 +0.092 C ATOM 21 C LIG 1 -1.279 4.558 0.013 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -1.438 3.038 0.153 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.257 4.927 -1.425 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -4.401 4.754 -1.509 0.00 0.00 -0.196 NA ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.699 -1.036 0.734 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.395 -1.596 0.897 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.703 -0.410 -1.813 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.787 -0.278 -0.723 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.756 -1.282 0.422 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.262 -0.899 1.676 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.275 -1.791 2.749 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.786 -3.084 2.586 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.290 -3.484 1.347 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.280 -2.593 0.271 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.170 -0.250 -1.350 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -6.141 0.344 -0.904 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.301 -0.993 -2.466 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.254 -0.915 -2.686 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8