REMARK Name = BDB058495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.568 0.631 -0.523 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.355 -0.709 -0.822 0.00 0.00 +0.027 A ATOM 3 S LIG 1 1.825 -1.494 -1.249 0.00 0.00 -0.091 S ATOM 4 C LIG 1 2.747 -0.072 -1.035 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.952 0.984 -0.641 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -2.558 3.329 0.688 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -1.422 3.115 1.486 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.406 2.236 1.087 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.500 1.542 -0.121 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -1.615 1.751 -0.934 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -2.628 2.628 -0.532 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -3.470 4.973 2.460 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -3.695 4.281 1.097 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -3.847 5.395 0.039 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -5.019 3.493 1.199 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -0.876 -1.510 -0.785 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -1.352 -2.156 -1.931 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -2.537 -2.903 -1.894 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.286 -3.027 -0.713 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -2.794 -2.371 0.431 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.610 -1.626 0.397 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -4.594 -3.834 -0.638 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -4.448 -4.964 0.405 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -4.997 -4.496 -1.975 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -5.754 -2.904 -0.221 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 4.229 -0.081 -1.265 0.00 0.00 +0.123 C BRANCH 26 27 ATOM 27 N LIG 1 4.923 -0.075 0.022 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 4.630 -0.893 0.557 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 6.385 -0.049 -0.108 0.00 0.00 +0.056 C ATOM 30 C LIG 1 6.981 0.324 1.257 0.00 0.00 +0.034 C ATOM 31 C LIG 1 8.507 0.304 1.207 0.00 0.00 +0.082 C ATOM 32 N LIG 1 9.022 -0.995 0.771 0.00 0.00 -0.316 NA ATOM 33 H LIG 1 8.740 -1.708 1.446 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 8.499 -1.351 -0.548 0.00 0.00 +0.082 C ATOM 35 C LIG 1 6.971 -1.391 -0.571 0.00 0.00 +0.034 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 7