REMARK Name = BDB025164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.533 -0.124 1.462 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.446 -0.892 1.009 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.519 -2.374 1.045 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.522 -2.907 0.006 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.186 -3.100 0.801 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.042 -2.360 1.455 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.994 -0.988 0.849 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.771 -0.371 0.509 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.501 -0.863 0.621 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 1.315 0.071 0.182 0.00 0.00 +0.201 A ATOM 11 N LIG 1 0.586 1.174 -0.241 0.00 0.00 -0.309 N ATOM 12 C LIG 1 -0.754 0.910 -0.020 0.00 0.00 +0.071 A ATOM 13 C LIG 1 -1.927 1.639 -0.231 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.137 1.021 0.115 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.196 -0.273 0.651 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.591 1.101 1.506 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.091 2.389 -0.877 0.00 0.00 +0.091 C ATOM 18 C LIG 1 1.804 2.114 -2.208 0.00 0.00 +0.026 C ATOM 19 C LIG 1 2.158 3.414 -2.933 0.00 0.00 +0.017 C ATOM 20 C LIG 1 2.759 4.492 -2.016 0.00 0.00 +0.098 C ATOM 21 C LIG 1 3.085 3.985 -0.608 0.00 0.00 +0.017 C ATOM 22 C LIG 1 1.917 3.270 0.079 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 1.834 5.689 -1.935 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.674 5.679 -1.554 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.423 6.832 -2.332 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.730 7.519 -2.220 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.698 -0.170 2.385 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.565 -0.901 1.912 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 2.669 0.048 0.135 0.00 0.00 -0.285 N ATOM 30 H LIG 1 3.180 0.901 -0.036 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 3.527 -1.056 0.337 0.00 0.00 +0.037 A ATOM 32 C LIG 1 3.092 -2.385 0.422 0.00 0.00 +0.069 A ATOM 33 C LIG 1 3.989 -3.443 0.627 0.00 0.00 +0.122 A ATOM 34 C LIG 1 5.350 -3.174 0.755 0.00 0.00 +0.046 A ATOM 35 C LIG 1 5.806 -1.859 0.683 0.00 0.00 +0.005 A ATOM 36 C LIG 1 4.903 -0.813 0.478 0.00 0.00 +0.023 A BRANCH 33 37 ATOM 37 O LIG 1 3.411 -4.683 0.673 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 4.265 -5.784 0.950 0.00 0.00 +0.277 C ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7