REMARK Name = BDB059197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.158 -0.174 -0.207 0.00 0.00 +0.110 A ATOM 2 C LIG 1 1.223 -0.116 0.815 0.00 0.00 +0.094 A ATOM 3 N LIG 1 0.513 -1.201 1.205 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 0.759 -2.357 0.580 0.00 0.00 +0.190 A ATOM 5 N LIG 1 1.685 -2.530 -0.365 0.00 0.00 -0.214 NA ATOM 6 C LIG 1 2.373 -1.431 -0.749 0.00 0.00 +0.126 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.887 1.104 1.577 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.873 1.878 2.216 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.532 3.022 2.947 0.00 0.00 +0.020 A ATOM 10 C LIG 1 0.197 3.398 3.063 0.00 0.00 +0.041 A ATOM 11 CL LIG 1 -0.225 4.800 3.965 0.00 0.00 -0.084 Cl ATOM 12 C LIG 1 -0.799 2.639 2.458 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -0.455 1.502 1.720 0.00 0.00 +0.011 A ENDBRANCH 2 7 BRANCH 1 15 ATOM 14 N LIG 1 3.374 1.940 -1.070 0.00 0.00 -0.191 NA ATOM 15 C LIG 1 2.833 0.988 -0.686 0.00 0.00 +0.104 C ENDBRANCH 1 15 BRANCH 4 16 ATOM 16 S LIG 1 -0.271 -3.731 1.004 0.00 0.00 -0.080 S BRANCH 16 17 ATOM 17 C LIG 1 -0.850 -4.144 -0.669 0.00 0.00 +0.136 C BRANCH 17 18 ATOM 18 C LIG 1 -1.536 -3.009 -1.339 0.00 0.00 +0.093 A ATOM 19 N LIG 1 -0.960 -2.382 -2.416 0.00 0.00 -0.134 NA ATOM 20 N LIG 1 -1.767 -1.410 -2.814 0.00 0.00 -0.065 NA ATOM 21 N LIG 1 -2.835 -1.409 -1.996 0.00 0.00 -0.247 N ATOM 22 C LIG 1 -2.745 -2.402 -1.065 0.00 0.00 +0.134 A BRANCH 21 23 ATOM 23 C LIG 1 -3.936 -0.491 -2.222 0.00 0.00 +0.180 C BRANCH 23 24 ATOM 24 C LIG 1 -3.770 0.792 -1.448 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -2.818 1.744 -1.846 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -2.685 2.947 -1.152 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.501 3.213 -0.054 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.441 2.271 0.359 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.574 1.065 -0.332 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 4 16 BRANCH 6 30 ATOM 30 S LIG 1 3.563 -1.743 -2.047 0.00 0.00 -0.042 S BRANCH 30 31 ATOM 31 C LIG 1 5.008 -1.804 -1.054 0.00 0.00 +0.141 A ATOM 32 S LIG 1 6.464 -2.517 -1.620 0.00 0.00 -0.069 S ATOM 33 C LIG 1 7.222 -2.119 -0.136 0.00 0.00 +0.067 A ATOM 34 C LIG 1 6.325 -1.469 0.683 0.00 0.00 +0.120 A ATOM 35 N LIG 1 5.061 -1.286 0.156 0.00 0.00 -0.241 NA ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 9