REMARK Name = BDB058507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.351 -0.528 0.973 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.045 0.806 0.734 0.00 0.00 +0.027 A ATOM 3 S LIG 1 -1.585 1.157 1.153 0.00 0.00 -0.091 S ATOM 4 C LIG 1 -1.900 -0.454 1.630 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.778 -1.244 1.489 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 4.212 -2.261 0.204 0.00 0.00 -0.042 A ATOM 7 C LIG 1 3.048 -2.763 -0.401 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.793 -2.196 -0.148 0.00 0.00 +0.009 A ATOM 9 C LIG 1 1.667 -1.106 0.716 0.00 0.00 -0.017 A ATOM 10 C LIG 1 2.809 -0.600 1.335 0.00 0.00 +0.009 A ATOM 11 C LIG 1 4.062 -1.168 1.079 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 5.606 -4.048 -1.039 0.00 0.00 +0.015 C ATOM 13 C LIG 1 5.608 -2.855 -0.056 0.00 0.00 -0.013 C ATOM 14 C LIG 1 6.213 -3.360 1.272 0.00 0.00 +0.015 C ATOM 15 C LIG 1 6.530 -1.771 -0.655 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 0.868 1.886 0.172 0.00 0.00 -0.011 A ATOM 17 C LIG 1 1.432 1.753 -1.103 0.00 0.00 +0.009 A ATOM 18 C LIG 1 2.229 2.769 -1.640 0.00 0.00 +0.005 A ATOM 19 C LIG 1 2.482 3.937 -0.908 0.00 0.00 -0.034 A ATOM 20 C LIG 1 1.911 4.075 0.364 0.00 0.00 +0.005 A ATOM 21 C LIG 1 1.116 3.058 0.900 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 3.318 5.043 -1.497 0.00 0.00 +0.113 C BRANCH 22 23 ATOM 23 N LIG 1 2.495 5.988 -2.241 0.00 0.00 -0.326 NA ATOM 24 H LIG 1 1.777 6.356 -1.618 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 1.989 5.479 -2.965 0.00 0.00 +0.119 HD ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 -3.256 -0.844 2.141 0.00 0.00 +0.123 C BRANCH 26 27 ATOM 27 N LIG 1 -3.963 -1.763 1.243 0.00 0.00 -0.311 NA ATOM 28 H LIG 1 -3.356 -2.560 1.056 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.376 -1.175 -0.034 0.00 0.00 +0.084 C BRANCH 29 30 ATOM 30 C LIG 1 -5.441 -0.067 0.072 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.795 0.459 -1.329 0.00 0.00 +0.020 C ATOM 32 C LIG 1 -6.918 1.493 -1.266 0.00 0.00 +0.081 C ATOM 33 N LIG 1 -8.113 0.958 -0.610 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 -8.453 0.157 -1.143 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -7.806 0.520 0.753 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -6.718 -0.552 0.778 0.00 0.00 +0.020 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 9