REMARK Name = BDB036670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.654 -0.349 -0.277 0.00 0.00 +0.078 A ATOM 2 C LIG 1 2.038 -0.551 -1.541 0.00 0.00 +0.142 A ATOM 3 C LIG 1 1.211 0.430 -2.116 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.977 1.627 -1.413 0.00 0.00 +0.068 A ATOM 5 C LIG 1 1.598 1.786 -0.186 0.00 0.00 +0.171 A ATOM 6 O LIG 1 1.275 2.998 0.333 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 0.442 3.666 -0.541 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 0.240 2.834 -1.569 0.00 0.00 +0.188 A ATOM 9 C LIG 1 2.427 0.844 0.419 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 3.494 -1.381 0.221 0.00 0.00 -0.297 N ATOM 11 H LIG 1 3.366 -2.221 -0.347 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 6.128 -0.948 2.594 0.00 0.00 +0.064 A ATOM 13 N LIG 1 6.037 -2.280 2.506 0.00 0.00 -0.177 NA ATOM 14 N LIG 1 5.053 -2.471 1.611 0.00 0.00 -0.264 N ATOM 15 H LIG 1 4.798 -3.422 1.376 0.00 0.00 +0.190 HD ATOM 16 C LIG 1 4.490 -1.315 1.134 0.00 0.00 +0.119 A ATOM 17 C LIG 1 5.188 -0.304 1.753 0.00 0.00 +0.068 A BRANCH 12 19 ATOM 18 C LIG 1 6.595 -0.071 4.889 0.00 0.00 +0.010 C ATOM 19 C LIG 1 7.138 -0.315 3.489 0.00 0.00 +0.054 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 2.320 -1.768 -2.127 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 1.758 -2.014 -3.412 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -0.614 3.259 -2.581 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -1.054 4.159 -2.392 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -1.655 2.259 -3.432 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -2.706 3.102 -3.967 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -0.841 1.476 -4.338 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -2.407 1.213 -2.207 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -2.980 1.799 -1.064 0.00 0.00 +0.151 A ATOM 29 C LIG 1 -3.530 0.970 -0.076 0.00 0.00 +0.058 A ATOM 30 C LIG 1 -3.514 -0.430 -0.197 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -2.957 -0.991 -1.348 0.00 0.00 +0.058 A ATOM 32 C LIG 1 -2.432 -0.177 -2.358 0.00 0.00 +0.151 A BRANCH 30 33 ATOM 33 C LIG 1 -4.075 -1.272 0.867 0.00 0.00 +0.093 A ATOM 34 N LIG 1 -4.747 -0.738 1.902 0.00 0.00 -0.171 NA ATOM 35 N LIG 1 -5.104 -1.787 2.660 0.00 0.00 -0.274 N ATOM 36 C LIG 1 -5.851 -1.563 3.874 0.00 0.00 +0.172 C ATOM 37 C LIG 1 -4.692 -2.983 2.162 0.00 0.00 +0.108 A ATOM 38 C LIG 1 -4.020 -2.688 0.999 0.00 0.00 +0.049 A ENDBRANCH 30 33 BRANCH 28 39 ATOM 39 O LIG 1 -2.973 3.167 -0.986 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 -3.381 3.768 0.239 0.00 0.00 +0.277 C ENDBRANCH 28 39 BRANCH 32 41 ATOM 41 O LIG 1 -1.898 -0.823 -3.439 0.00 0.00 -0.493 OA ATOM 42 C LIG 1 -2.892 -1.018 -4.449 0.00 0.00 +0.277 C ENDBRANCH 32 41 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 10