REMARK Name = BDB061552 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.729 0.541 0.010 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -1.643 1.189 0.826 0.00 0.00 +0.110 A ATOM 3 C LIG 1 -1.141 2.254 1.558 0.00 0.00 +0.126 A ATOM 4 N LIG 1 0.156 2.634 1.518 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.955 1.966 0.683 0.00 0.00 +0.190 A ATOM 6 N LIG 1 0.565 0.935 -0.073 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -0.935 -1.675 -3.059 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -1.597 -2.796 -2.538 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -1.952 -2.864 -1.181 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -1.658 -1.779 -0.349 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -1.039 -0.619 -0.853 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -0.676 -0.592 -2.215 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 0.342 -0.771 -4.854 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -0.612 -1.718 -4.391 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -1.832 -3.881 -3.353 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -3.114 -3.754 -3.966 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -2.561 -4.022 -0.770 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.108 -4.048 0.541 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -3.012 0.794 0.901 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -4.112 0.435 0.990 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 -2.140 3.224 2.680 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 -2.876 4.292 1.498 0.00 0.00 +0.141 A ATOM 23 S LIG 1 -3.624 5.769 1.953 0.00 0.00 -0.069 S ATOM 24 C LIG 1 -4.027 6.056 0.312 0.00 0.00 +0.067 A ATOM 25 C LIG 1 -3.573 5.012 -0.465 0.00 0.00 +0.120 A ATOM 26 N LIG 1 -2.917 4.003 0.214 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 2.651 2.452 0.567 0.00 0.00 -0.086 S BRANCH 27 28 ATOM 28 C LIG 1 3.065 2.550 2.345 0.00 0.00 +0.082 C BRANCH 28 29 ATOM 29 C LIG 1 2.954 1.223 3.105 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 3.947 0.171 2.672 0.00 0.00 -0.047 A ATOM 31 C LIG 1 3.557 -0.872 1.822 0.00 0.00 +0.003 A ATOM 32 C LIG 1 4.479 -1.837 1.415 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.800 -1.769 1.855 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.200 -0.736 2.699 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.279 0.232 3.106 0.00 0.00 +0.003 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 11