REMARK Name = BDB036547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.098 -1.087 -0.024 0.00 0.00 +0.079 A ATOM 2 C LIG 1 1.355 -2.261 0.278 0.00 0.00 +0.142 A ATOM 3 C LIG 1 0.008 -2.398 -0.103 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -0.599 -1.338 -0.801 0.00 0.00 +0.068 A ATOM 5 C LIG 1 0.149 -0.212 -1.082 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.621 0.682 -1.755 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -1.891 0.161 -1.926 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -1.875 -1.046 -1.353 0.00 0.00 +0.188 A ATOM 9 C LIG 1 1.482 -0.038 -0.721 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 3.439 -1.033 0.399 0.00 0.00 -0.281 N ATOM 11 H LIG 1 3.759 -1.861 0.886 0.00 0.00 +0.155 HD BRANCH 10 15 ATOM 12 C LIG 1 6.575 1.628 0.170 0.00 0.00 -0.011 A ATOM 13 C LIG 1 6.655 0.397 0.779 0.00 0.00 +0.119 A ATOM 14 N LIG 1 5.629 -0.473 0.853 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 4.462 -0.102 0.299 0.00 0.00 +0.220 A ATOM 16 N LIG 1 4.285 1.081 -0.309 0.00 0.00 -0.222 NA ATOM 17 C LIG 1 5.339 1.918 -0.359 0.00 0.00 +0.119 A BRANCH 12 19 ATOM 18 C LIG 1 7.749 3.510 1.322 0.00 0.00 +0.009 C ATOM 19 C LIG 1 7.724 2.583 0.116 0.00 0.00 +0.035 C ENDBRANCH 12 19 ENDBRANCH 10 15 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 2.064 -3.225 0.966 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 1.400 -4.451 1.248 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -2.966 -1.901 -1.289 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -2.937 -2.703 -0.668 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -4.532 -1.452 -1.684 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -5.379 -2.518 -1.182 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -4.536 -1.123 -3.094 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -4.856 -0.028 -0.685 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -5.389 1.143 -1.230 0.00 0.00 +0.150 A ATOM 29 C LIG 1 -5.621 2.256 -0.410 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -5.292 2.215 0.944 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -4.768 1.048 1.494 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -4.580 -0.082 0.690 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 -5.812 1.208 -2.528 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 -4.941 2.020 -3.318 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 -4.066 -1.220 1.261 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -5.026 -1.830 2.130 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9