REMARK Name = BDB009856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.203 -1.960 -2.022 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -1.668 -2.470 -0.671 0.00 0.00 +0.055 C ATOM 3 C LIG 1 -0.187 -2.083 -0.532 0.00 0.00 +0.223 C ATOM 4 O LIG 1 0.685 -2.868 -0.912 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 0.131 -0.804 -0.028 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -0.978 0.174 0.174 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -2.166 -0.481 0.950 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -2.463 -1.933 0.529 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.634 1.541 0.774 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.588 2.672 -0.062 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.325 3.944 0.455 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.114 4.106 1.820 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.212 5.670 2.455 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.171 3.008 2.672 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.438 1.737 2.154 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -3.448 0.351 0.936 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.062 0.755 -0.260 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.230 1.520 -0.232 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.958 2.011 -1.712 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.808 1.889 0.979 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.215 1.487 2.173 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.047 0.722 2.152 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 1.589 -0.460 -0.123 0.00 0.00 +0.101 C BRANCH 23 24 ATOM 24 C LIG 1 2.004 -0.112 -1.546 0.00 0.00 +0.011 C ATOM 25 C LIG 1 1.076 0.412 -2.623 0.00 0.00 +0.006 C ATOM 26 C LIG 1 2.142 1.302 -2.066 0.00 0.00 +0.006 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 2.167 0.442 0.962 0.00 0.00 +0.189 C BRANCH 27 28 ATOM 28 S LIG 1 3.860 0.133 1.409 0.00 0.00 -0.026 S ATOM 29 O LIG 1 4.136 1.041 2.513 0.00 0.00 -0.174 OA ATOM 30 O LIG 1 4.014 -1.294 1.623 0.00 0.00 -0.174 OA BRANCH 28 31 ATOM 31 C LIG 1 4.842 0.668 -0.001 0.00 0.00 +0.131 C ATOM 32 C LIG 1 5.337 -0.446 -0.955 0.00 0.00 +0.026 C ATOM 33 C LIG 1 6.658 -0.475 -0.168 0.00 0.00 +0.004 C ATOM 34 C LIG 1 6.333 0.946 0.320 0.00 0.00 +0.026 C ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 5 23 BRANCH 2 35 ATOM 35 C LIG 1 -1.734 -4.025 -0.678 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 -3.128 -4.585 -0.706 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -3.847 -4.773 0.261 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.563 -4.853 -1.950 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -4.465 -5.217 -1.818 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 10