REMARK Name = BDB036710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.196 3.514 -0.769 0.00 0.00 +0.188 A ATOM 2 C LIG 1 -0.102 2.710 -0.344 0.00 0.00 +0.068 A ATOM 3 C LIG 1 0.430 2.239 -1.531 0.00 0.00 +0.171 A ATOM 4 C LIG 1 1.502 1.356 -1.632 0.00 0.00 +0.076 A ATOM 5 C LIG 1 2.081 0.920 -0.432 0.00 0.00 +0.078 A ATOM 6 C LIG 1 1.595 1.412 0.806 0.00 0.00 +0.142 A ATOM 7 O LIG 1 -0.254 2.766 -2.578 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 0.514 2.310 0.858 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -1.267 3.575 -2.104 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.168 4.191 -0.041 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -2.888 4.621 -0.619 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -2.815 3.652 1.411 0.00 0.00 +0.081 S ATOM 13 O LIG 1 -4.135 4.238 1.525 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -1.819 3.920 2.427 0.00 0.00 -0.150 OA BRANCH 12 18 ATOM 15 C LIG 1 -3.212 -0.875 0.776 0.00 0.00 -0.015 A ATOM 16 C LIG 1 -2.639 -0.372 1.948 0.00 0.00 +0.053 A ATOM 17 C LIG 1 -2.573 1.004 2.176 0.00 0.00 +0.151 A ATOM 18 C LIG 1 -3.044 1.900 1.211 0.00 0.00 +0.191 A ATOM 19 C LIG 1 -3.675 1.412 0.052 0.00 0.00 +0.151 A ATOM 20 C LIG 1 -3.757 0.026 -0.151 0.00 0.00 +0.053 A BRANCH 17 21 ATOM 21 O LIG 1 -1.967 1.400 3.335 0.00 0.00 -0.493 OA ATOM 22 C LIG 1 -2.928 1.523 4.387 0.00 0.00 +0.277 C ENDBRANCH 17 21 BRANCH 19 23 ATOM 23 O LIG 1 -4.189 2.335 -0.821 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -4.664 1.878 -2.082 0.00 0.00 +0.277 C ENDBRANCH 19 23 BRANCH 15 25 ATOM 25 C LIG 1 -3.290 -2.364 0.537 0.00 0.00 +0.194 C BRANCH 25 27 ATOM 26 C LIG 1 -1.055 -2.939 -0.030 0.00 0.00 +0.194 C ATOM 27 O LIG 1 -2.093 -3.032 0.939 0.00 0.00 -0.378 OA ENDBRANCH 25 27 ENDBRANCH 15 25 ENDBRANCH 12 18 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 6 28 ATOM 28 O LIG 1 2.271 0.947 1.913 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 1.733 1.280 3.189 0.00 0.00 +0.277 C ENDBRANCH 6 28 BRANCH 5 30 ATOM 30 N LIG 1 3.126 -0.040 -0.407 0.00 0.00 -0.297 N ATOM 31 H LIG 1 3.628 0.004 0.483 0.00 0.00 +0.154 HD BRANCH 30 32 ATOM 32 C LIG 1 3.372 -1.072 -1.246 0.00 0.00 +0.119 A ATOM 33 N LIG 1 2.481 -1.551 -2.169 0.00 0.00 -0.264 N ATOM 34 H LIG 1 1.544 -1.218 -2.351 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 2.926 -2.612 -2.865 0.00 0.00 -0.177 NA ATOM 36 C LIG 1 4.137 -2.829 -2.348 0.00 0.00 +0.068 A ATOM 37 C LIG 1 4.459 -1.912 -1.326 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 5.038 -3.991 -2.853 0.00 0.00 +0.040 C ATOM 39 C LIG 1 6.538 -3.849 -2.865 0.00 0.00 +0.010 C ATOM 40 C LIG 1 5.881 -4.777 -1.882 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 11