REMARK Name = BDB024715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.482 -3.764 -1.773 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.091 -2.745 -0.886 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.954 -2.447 0.277 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.609 -3.356 1.464 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.936 -0.966 0.639 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.530 -0.514 0.959 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.566 -0.938 -0.112 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.330 -0.258 -0.226 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.850 0.789 0.523 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.658 1.075 0.038 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.350 0.240 -1.015 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.410 -0.624 -1.195 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.647 -1.667 -2.085 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.869 -2.347 -1.959 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.841 -2.015 -0.998 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.926 -4.088 -2.816 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.067 -5.451 -2.221 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.619 -4.407 -1.356 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.842 0.270 -1.847 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 1.920 -0.737 -1.404 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 2.796 -0.248 -0.324 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 3.525 -1.348 0.347 0.00 0.00 +0.101 C ATOM 23 C LIG 1 5.008 -1.501 -0.040 0.00 0.00 +0.124 C ATOM 24 N LIG 1 5.763 -0.236 0.170 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 4.941 1.001 0.129 0.00 0.00 +0.124 C ATOM 26 C LIG 1 3.728 0.803 -0.799 0.00 0.00 +0.101 C BRANCH 24 27 ATOM 27 S LIG 1 7.100 -0.253 1.190 0.00 0.00 +0.029 S ATOM 28 O LIG 1 7.850 -1.460 0.916 0.00 0.00 -0.158 OA ATOM 29 O LIG 1 7.725 1.051 1.124 0.00 0.00 -0.158 OA ATOM 30 C LIG 1 6.362 -0.425 2.804 0.00 0.00 +0.215 C ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.230 2.153 0.564 0.00 0.00 +0.079 C BRANCH 31 32 ATOM 32 C LIG 1 -0.024 3.485 -0.143 0.00 0.00 +0.043 C BRANCH 32 33 ATOM 33 C LIG 1 1.008 4.517 0.244 0.00 0.00 -0.047 A ATOM 34 C LIG 1 2.079 4.808 -0.612 0.00 0.00 +0.003 A ATOM 35 C LIG 1 3.049 5.740 -0.238 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.957 6.388 0.992 0.00 0.00 +0.000 A ATOM 37 C LIG 1 1.895 6.106 1.850 0.00 0.00 +0.000 A ATOM 38 C LIG 1 0.925 5.174 1.479 0.00 0.00 +0.003 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8