REMARK Name = BDB059499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.561 -0.126 1.593 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -4.711 -0.579 0.584 0.00 0.00 -0.293 N ATOM 3 C LIG 1 -3.287 -0.632 0.936 0.00 0.00 +0.144 C ATOM 4 C LIG 1 -2.441 -0.804 -0.292 0.00 0.00 -0.019 A ATOM 5 C LIG 1 -2.967 -1.122 -1.528 0.00 0.00 -0.003 A ATOM 6 S LIG 1 -1.787 -1.298 -2.732 0.00 0.00 -0.088 S ATOM 7 C LIG 1 -0.516 -0.936 -1.633 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -4.427 -1.283 -1.797 0.00 0.00 +0.062 C ATOM 9 C LIG 1 -1.015 -0.697 -0.361 0.00 0.00 +0.026 A ATOM 10 C LIG 1 -5.158 -1.517 -0.467 0.00 0.00 +0.113 C ATOM 11 O LIG 1 -5.174 0.150 2.726 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 -9.730 0.457 0.804 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -8.770 0.961 -0.087 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.407 0.774 0.158 0.00 0.00 +0.014 A ATOM 15 C LIG 1 -6.998 0.063 1.291 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -7.948 -0.422 2.196 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -9.312 -0.231 1.951 0.00 0.00 +0.012 A BRANCH 12 19 ATOM 18 C LIG 1 -12.218 0.115 1.421 0.00 0.00 +0.091 C ATOM 19 C LIG 1 -11.174 0.686 0.496 0.00 0.00 +0.160 C ATOM 20 O LIG 1 -11.493 1.334 -0.499 0.00 0.00 -0.292 OA ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 C LIG 1 0.859 -0.930 -2.118 0.00 0.00 +0.251 C ATOM 22 N LIG 1 1.767 -0.321 -1.273 0.00 0.00 -0.308 N ATOM 23 H LIG 1 1.410 0.327 -0.581 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 1.219 -1.407 -3.193 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 3.129 -0.061 -1.707 0.00 0.00 +0.137 C BRANCH 25 26 ATOM 26 C LIG 1 4.000 0.378 -0.527 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 3.422 1.556 0.065 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 4.174 2.002 0.507 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 5.441 0.693 -0.984 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 6.240 1.303 0.105 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 7.495 1.882 -0.423 0.00 0.00 +0.120 C ATOM 32 C LIG 1 8.681 0.950 -0.381 0.00 0.00 -0.030 A ATOM 33 C LIG 1 8.890 0.219 0.801 0.00 0.00 -0.042 A ATOM 34 C LIG 1 10.016 -0.593 0.937 0.00 0.00 +0.004 A ATOM 35 C LIG 1 10.927 -0.689 -0.115 0.00 0.00 +0.000 A ATOM 36 C LIG 1 10.719 0.029 -1.294 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.852 0.373 1.879 0.00 0.00 +0.051 C ATOM 38 C LIG 1 9.601 0.855 -1.427 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.458 0.350 1.224 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 7 21 TORSDOF 8