REMARK Name = BDB036514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.411 -0.175 0.806 0.00 0.00 +0.078 A ATOM 2 C LIG 1 0.441 -1.000 1.434 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -0.833 -0.507 1.768 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -1.153 0.828 1.456 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -0.176 1.603 0.856 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.650 2.861 0.661 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -1.947 2.942 1.126 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -2.255 1.720 1.575 0.00 0.00 +0.188 A ATOM 9 C LIG 1 1.098 1.158 0.512 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.671 -0.753 0.499 0.00 0.00 -0.295 N ATOM 11 H LIG 1 2.683 -1.718 0.825 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 N LIG 1 5.229 0.940 -1.081 0.00 0.00 -0.267 N ATOM 13 C LIG 1 5.864 -0.260 -0.899 0.00 0.00 +0.038 A ATOM 14 C LIG 1 7.254 -0.541 -1.325 0.00 0.00 +0.065 C ATOM 15 C LIG 1 4.937 -1.058 -0.264 0.00 0.00 +0.068 A ATOM 16 C LIG 1 3.777 -0.262 -0.100 0.00 0.00 +0.145 A ATOM 17 N LIG 1 3.970 0.956 -0.610 0.00 0.00 -0.156 NA BRANCH 12 19 ATOM 18 C LIG 1 6.357 3.096 -0.687 0.00 0.00 +0.029 C ATOM 19 C LIG 1 5.754 2.142 -1.703 0.00 0.00 +0.140 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 0.862 -2.291 1.683 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 -0.094 -3.186 2.243 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -3.541 1.522 2.065 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -4.144 2.338 1.971 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -4.425 0.110 1.880 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -3.855 -0.865 2.788 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -5.823 0.470 2.009 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -4.175 -0.386 0.192 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -3.787 -1.693 -0.126 0.00 0.00 +0.150 A ATOM 29 C LIG 1 -3.526 -2.046 -1.452 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -3.703 -1.114 -2.469 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -4.133 0.178 -2.164 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -4.366 0.558 -0.836 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 -3.576 -2.663 0.814 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 -4.767 -3.428 1.022 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 -4.797 1.809 -0.478 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.663 2.852 -1.437 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9