REMARK Name = BDB036474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.696 -1.647 0.084 0.00 0.00 +0.142 A ATOM 2 C LIG 1 3.354 -0.616 -0.642 0.00 0.00 +0.078 A ATOM 3 C LIG 1 2.837 0.688 -0.620 0.00 0.00 +0.076 A ATOM 4 C LIG 1 1.681 0.897 0.126 0.00 0.00 +0.171 A ATOM 5 C LIG 1 1.020 -0.082 0.841 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.082 0.604 1.418 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -0.084 1.895 1.074 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 1.022 2.077 0.264 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.529 -1.393 0.826 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.766 -3.934 0.788 0.00 0.00 +0.277 C ATOM 11 O LIG 1 3.285 -2.889 -0.024 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 4.547 -0.950 -1.330 0.00 0.00 -0.295 N ATOM 13 H LIG 1 4.595 -1.954 -1.493 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 5.563 -0.243 -1.862 0.00 0.00 +0.145 A ATOM 15 N LIG 1 6.413 -0.782 -2.741 0.00 0.00 -0.159 NA ATOM 16 N LIG 1 7.281 0.202 -3.017 0.00 0.00 -0.283 N ATOM 17 H LIG 1 8.020 0.015 -3.686 0.00 0.00 +0.188 HD ATOM 18 C LIG 1 7.046 1.345 -2.317 0.00 0.00 +0.107 A ATOM 19 C LIG 1 5.940 1.082 -1.544 0.00 0.00 +0.064 A ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 20 ATOM 20 N LIG 1 -1.044 0.001 2.215 0.00 0.00 -0.196 N ATOM 21 H LIG 1 -1.084 -1.010 2.282 0.00 0.00 +0.175 HD BRANCH 20 22 ATOM 22 S LIG 1 -2.474 0.740 2.678 0.00 0.00 +0.081 S ATOM 23 O LIG 1 -3.296 -0.321 3.231 0.00 0.00 -0.150 OA ATOM 24 O LIG 1 -2.114 1.882 3.491 0.00 0.00 -0.150 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.241 1.241 1.165 0.00 0.00 +0.191 A ATOM 26 C LIG 1 -3.312 0.335 0.098 0.00 0.00 +0.151 A ATOM 27 C LIG 1 -3.878 0.714 -1.123 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -4.420 1.988 -1.271 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -4.389 2.881 -0.202 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -3.788 2.517 1.010 0.00 0.00 +0.150 A BRANCH 30 31 ATOM 31 O LIG 1 -3.862 3.402 2.050 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 -2.928 4.471 1.885 0.00 0.00 +0.277 C ENDBRANCH 30 31 BRANCH 26 33 ATOM 33 O LIG 1 -2.789 -0.931 0.199 0.00 0.00 -0.487 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.822 -1.923 0.385 0.00 0.00 +0.174 C ATOM 35 C LIG 1 -3.324 -3.342 0.452 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -4.058 -2.863 -0.765 0.00 0.00 +0.048 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 9