REMARK Name = BDB033672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 -1.141 -0.474 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.139 -2.510 -0.244 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.166 -3.574 -0.510 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.094 -2.903 0.302 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.085 -1.968 0.606 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.872 -0.607 0.376 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.634 -0.214 -0.160 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.688 -0.608 -1.030 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.839 -0.718 -1.426 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.247 0.348 -2.183 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -4.299 1.607 -1.677 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -3.789 2.032 -0.461 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -3.890 3.378 -0.138 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -4.452 4.309 -0.946 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -4.914 3.877 -2.135 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -2.975 1.030 0.716 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -3.914 0.859 1.805 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -1.679 1.633 0.940 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.749 -0.480 -0.004 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -4.850 2.555 -2.542 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -3.985 -1.251 -0.261 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -6.784 0.280 0.021 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -6.353 -0.573 -1.163 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.904 0.463 0.734 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 4.318 0.130 0.262 0.00 0.00 -0.001 A ATOM 26 S LIG 1 4.853 0.766 -1.249 0.00 0.00 -0.090 S ATOM 27 C LIG 1 6.393 0.034 -1.123 0.00 0.00 +0.055 A ATOM 28 C LIG 1 6.502 -0.688 0.049 0.00 0.00 +0.019 A ATOM 29 C LIG 1 5.314 -0.634 0.838 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 7.369 0.229 -2.190 0.00 0.00 +0.167 C ATOM 31 O LIG 1 7.168 0.905 -3.200 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 8.706 -0.455 -2.016 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 2.756 0.972 2.188 0.00 0.00 +0.107 C ATOM 34 C LIG 1 3.786 2.029 2.586 0.00 0.00 +0.020 C BRANCH 33 35 ATOM 35 C LIG 1 2.728 -0.116 3.236 0.00 0.00 +0.308 C ATOM 36 O LIG 1 3.577 -0.965 3.454 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 1.629 -0.050 4.015 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 1.716 -0.803 4.635 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9