REMARK Name = BDB058503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.262 -0.193 0.449 0.00 0.00 +0.005 A ATOM 2 S LIG 1 1.277 -1.543 0.801 0.00 0.00 -0.091 S ATOM 3 C LIG 1 -0.176 -0.647 0.589 0.00 0.00 +0.027 A ATOM 4 C LIG 1 0.090 0.678 0.266 0.00 0.00 -0.003 A ATOM 5 C LIG 1 1.500 0.926 0.185 0.00 0.00 +0.021 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -1.456 -1.356 0.728 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -2.359 -1.401 -0.337 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.588 -2.056 -0.203 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -3.958 -2.691 0.998 0.00 0.00 -0.042 A ATOM 10 C LIG 1 -3.041 -2.639 2.059 0.00 0.00 +0.005 A ATOM 11 C LIG 1 -1.810 -1.981 1.927 0.00 0.00 +0.009 A BRANCH 9 12 ATOM 12 C LIG 1 -5.320 -3.399 1.109 0.00 0.00 -0.013 C ATOM 13 C LIG 1 -5.575 -4.049 2.488 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -5.410 -4.520 0.052 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -6.455 -2.380 0.868 0.00 0.00 +0.015 C ENDBRANCH 9 12 ENDBRANCH 3 6 BRANCH 4 16 ATOM 16 C LIG 1 -0.952 1.671 0.026 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -1.923 1.946 0.989 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -2.915 2.901 0.741 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -2.965 3.616 -0.472 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -1.972 3.334 -1.424 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -0.978 2.377 -1.179 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -4.074 4.655 -0.710 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -3.992 5.353 -2.086 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -3.993 5.758 0.367 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -5.455 3.967 -0.629 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 1 26 ATOM 26 C LIG 1 3.764 -0.317 0.470 0.00 0.00 +0.126 C BRANCH 26 28 ATOM 27 C LIG 1 4.178 -0.738 -1.890 0.00 0.00 +0.105 C ATOM 28 N LIG 1 4.368 0.177 -0.774 0.00 0.00 -0.300 NA BRANCH 28 29 ATOM 29 C LIG 1 5.732 0.691 -0.619 0.00 0.00 +0.088 C BRANCH 29 30 ATOM 30 C LIG 1 6.966 -0.233 -0.470 0.00 0.00 +0.005 C ATOM 31 C LIG 1 7.502 -0.790 -1.805 0.00 0.00 +0.020 C ATOM 32 C LIG 1 8.123 -2.182 -1.662 0.00 0.00 +0.081 C ATOM 33 N LIG 1 8.947 -2.281 -0.461 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 9.681 -1.573 -0.508 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 8.168 -2.077 0.765 0.00 0.00 +0.081 C ATOM 36 C LIG 1 6.831 -1.350 0.567 0.00 0.00 +0.020 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8