REMARK Name = BDB021539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.570 -0.869 -1.274 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -3.253 -0.863 0.082 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -2.000 -0.409 0.590 0.00 0.00 +0.045 A ATOM 4 N LIG 1 -1.879 -0.493 1.984 0.00 0.00 -0.331 N ATOM 5 C LIG 1 -1.095 0.534 2.659 0.00 0.00 +0.123 C ATOM 6 C LIG 1 0.395 0.367 2.433 0.00 0.00 +0.127 C ATOM 7 N LIG 1 0.860 0.935 1.178 0.00 0.00 -0.293 N ATOM 8 C LIG 1 0.349 0.595 -0.078 0.00 0.00 +0.249 C ATOM 9 O LIG 1 1.066 0.774 -1.071 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.738 -1.867 2.478 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -1.041 0.065 -0.327 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -1.383 0.039 -1.705 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -2.616 -0.422 -2.170 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 -4.742 -1.275 -1.841 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.861 -1.561 -0.999 0.00 0.00 +0.233 C BRANCH 15 19 ATOM 16 C LIG 1 -10.072 0.357 0.341 0.00 0.00 +0.104 C ATOM 17 N LIG 1 -8.928 -0.009 -0.482 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.814 -0.556 0.299 0.00 0.00 +0.091 C ATOM 19 C LIG 1 -6.569 -0.282 -0.551 0.00 0.00 +0.042 C ATOM 20 C LIG 1 -7.072 0.557 -1.730 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -8.386 1.126 -1.230 0.00 0.00 +0.084 C ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 C LIG 1 2.233 1.470 1.198 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 3.308 0.371 1.136 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 3.442 -0.245 2.431 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 4.329 -0.658 2.408 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.678 0.966 0.738 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 5.764 -0.042 0.821 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 7.091 0.605 0.734 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.696 0.638 -0.649 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.616 -0.532 -1.423 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.232 -0.593 -2.673 0.00 0.00 +0.004 A ATOM 32 C LIG 1 8.918 0.521 -3.158 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.995 1.687 -2.395 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.846 -1.681 -0.832 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.392 1.746 -1.139 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.569 -1.125 -0.179 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 8