REMARK Name = BDB005009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.495 -0.191 2.514 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.287 -0.083 1.358 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.481 -0.805 1.226 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.884 -1.637 2.270 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.102 -1.756 3.423 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.912 -1.041 3.545 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.206 -0.634 0.029 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.802 0.005 -0.646 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -4.362 -1.286 -0.355 0.00 0.00 +0.249 C ATOM 10 O LIG 1 -4.939 -2.186 0.245 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.893 -0.871 -1.677 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.986 0.489 -2.060 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -5.469 0.781 -3.341 0.00 0.00 +0.047 A ATOM 14 N LIG 1 -5.462 2.151 -3.482 0.00 0.00 -0.361 N ATOM 15 H LIG 1 -5.769 2.645 -4.310 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -5.016 2.743 -2.331 0.00 0.00 +0.083 A ATOM 17 C LIG 1 -5.874 -0.210 -4.244 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -5.801 -1.542 -3.830 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -4.726 1.744 -1.431 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.322 -1.872 -2.564 0.00 0.00 +0.014 A ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 0.806 0.572 2.617 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 1.776 -0.050 1.724 0.00 0.00 -0.324 N ATOM 23 H LIG 1 1.850 -1.046 1.916 0.00 0.00 +0.148 HD BRANCH 22 27 ATOM 24 C LIG 1 6.374 0.038 0.199 0.00 0.00 +0.063 A ATOM 25 C LIG 1 5.343 0.585 0.994 0.00 0.00 +0.088 A ATOM 26 C LIG 1 4.076 -0.026 0.924 0.00 0.00 +0.041 A ATOM 27 C LIG 1 3.064 0.523 1.740 0.00 0.00 +0.130 A ATOM 28 N LIG 1 3.274 1.597 2.515 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 4.503 2.107 2.508 0.00 0.00 +0.223 A ATOM 30 C LIG 1 3.862 -1.130 0.059 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.889 -1.649 -0.717 0.00 0.00 +0.002 A ATOM 32 N LIG 1 5.543 1.652 1.799 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 6.144 -1.069 -0.641 0.00 0.00 +0.015 A BRANCH 24 37 ATOM 34 N LIG 1 8.027 1.737 0.855 0.00 0.00 -0.325 N ATOM 35 H LIG 1 8.980 2.065 0.910 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 7.312 2.170 1.433 0.00 0.00 +0.145 HD ATOM 37 C LIG 1 7.770 0.577 0.185 0.00 0.00 +0.244 C ATOM 38 O LIG 1 8.674 0.001 -0.412 0.00 0.00 -0.270 OA ENDBRANCH 24 37 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6