REMARK Name = BDB035937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.214 -1.504 2.149 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.764 -1.350 1.141 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.806 -2.160 1.564 0.00 0.00 +0.173 A ATOM 4 C LIG 1 3.025 -2.309 0.891 0.00 0.00 +0.058 A ATOM 5 C LIG 1 3.189 -1.601 -0.315 0.00 0.00 -0.007 A ATOM 6 C LIG 1 2.154 -0.789 -0.771 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.047 0.027 -2.008 0.00 0.00 +0.080 C ATOM 8 C LIG 1 0.832 0.875 -1.640 0.00 0.00 +0.234 C ATOM 9 O LIG 1 0.027 0.137 -0.697 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 1.444 -2.790 2.713 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 0.957 -0.674 -0.062 0.00 0.00 +0.139 A ATOM 12 N LIG 1 0.157 -2.410 3.061 0.00 0.00 -0.060 NA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 4.437 -1.734 -1.050 0.00 0.00 -0.010 A ATOM 14 C LIG 1 4.478 -2.268 -2.323 0.00 0.00 +0.053 A ATOM 15 S LIG 1 6.067 -2.322 -2.956 0.00 0.00 -0.104 S ATOM 16 C LIG 1 6.720 -1.655 -1.524 0.00 0.00 +0.046 A ATOM 17 C LIG 1 5.746 -1.393 -0.585 0.00 0.00 +0.016 A ENDBRANCH 5 13 BRANCH 1 18 ATOM 18 N LIG 1 -1.467 -0.912 2.246 0.00 0.00 -0.196 N ATOM 19 H LIG 1 -2.030 -1.300 3.002 0.00 0.00 +0.175 HD BRANCH 18 20 ATOM 20 S LIG 1 -1.624 0.773 2.304 0.00 0.00 +0.081 S ATOM 21 O LIG 1 -0.295 1.344 2.208 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -2.453 1.050 3.462 0.00 0.00 -0.150 OA BRANCH 20 24 ATOM 23 C LIG 1 -3.692 0.350 0.523 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -2.601 1.176 0.869 0.00 0.00 +0.191 A ATOM 25 C LIG 1 -2.296 2.320 0.107 0.00 0.00 +0.150 A ATOM 26 C LIG 1 -3.048 2.588 -1.043 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -4.097 1.750 -1.416 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -4.423 0.644 -0.633 0.00 0.00 +0.048 A BRANCH 23 30 ATOM 29 C LIG 1 -5.105 -1.523 1.023 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -4.003 -0.689 1.360 0.00 0.00 -0.493 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 -1.296 3.140 0.548 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 -0.970 4.296 -0.210 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 6