REMARK Name = BDB059148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.360 -0.751 -1.689 0.00 0.00 -0.044 A ATOM 2 C LIG 1 0.700 -1.844 -1.124 0.00 0.00 +0.004 A ATOM 3 C LIG 1 -0.697 -1.880 -1.058 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.480 -0.825 -1.553 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -0.821 0.242 -2.168 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.576 0.278 -2.235 0.00 0.00 +0.004 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.874 -0.662 -1.796 0.00 0.00 +0.082 C BRANCH 7 13 ATOM 8 C LIG 1 4.712 -4.117 1.367 0.00 0.00 +0.134 C ATOM 9 N LIG 1 4.396 -2.734 1.057 0.00 0.00 -0.277 N ATOM 10 C LIG 1 5.097 -1.634 1.766 0.00 0.00 +0.193 C ATOM 11 C LIG 1 4.091 -0.444 1.883 0.00 0.00 +0.254 C ATOM 12 N LIG 1 3.376 -0.166 0.706 0.00 0.00 -0.279 N ATOM 13 C LIG 1 3.740 -0.912 -0.527 0.00 0.00 +0.174 C ATOM 14 S LIG 1 5.503 -0.407 -0.972 0.00 0.00 -0.054 S ATOM 15 C LIG 1 2.571 1.043 0.646 0.00 0.00 +0.134 C ATOM 16 O LIG 1 3.988 0.243 2.899 0.00 0.00 -0.272 OA ATOM 17 S LIG 1 6.514 -1.023 0.722 0.00 0.00 -0.053 S ATOM 18 C LIG 1 3.852 -2.445 -0.207 0.00 0.00 +0.252 C ATOM 19 O LIG 1 3.591 -3.327 -1.025 0.00 0.00 -0.272 OA BRANCH 10 20 ATOM 20 C LIG 1 5.608 -1.959 3.196 0.00 0.00 +0.203 C BRANCH 20 21 ATOM 21 O LIG 1 6.608 -2.984 3.231 0.00 0.00 -0.391 OA ATOM 22 H LIG 1 6.953 -3.015 4.141 0.00 0.00 +0.210 HD ENDBRANCH 20 21 ENDBRANCH 10 20 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.994 -0.918 -1.459 0.00 0.00 +0.082 C BRANCH 23 24 ATOM 24 C LIG 1 -3.789 0.277 -0.859 0.00 0.00 +0.174 C ATOM 25 C LIG 1 -3.927 1.449 -1.895 0.00 0.00 +0.252 C ATOM 26 O LIG 1 -3.743 1.310 -3.104 0.00 0.00 -0.272 OA ATOM 27 N LIG 1 -4.409 2.651 -1.350 0.00 0.00 -0.277 N ATOM 28 C LIG 1 -4.694 3.755 -2.251 0.00 0.00 +0.134 C ATOM 29 C LIG 1 -5.031 2.596 0.001 0.00 0.00 +0.193 C ATOM 30 C LIG 1 -3.971 1.965 0.960 0.00 0.00 +0.254 C ATOM 31 O LIG 1 -3.748 2.383 2.094 0.00 0.00 -0.272 OA ATOM 32 S LIG 1 -6.489 1.433 -0.059 0.00 0.00 -0.053 S ATOM 33 N LIG 1 -3.334 0.820 0.446 0.00 0.00 -0.279 N ATOM 34 C LIG 1 -2.475 0.046 1.327 0.00 0.00 +0.134 C ATOM 35 S LIG 1 -5.559 -0.326 -0.611 0.00 0.00 -0.054 S BRANCH 29 36 ATOM 36 C LIG 1 -5.521 3.965 0.549 0.00 0.00 +0.203 C BRANCH 36 37 ATOM 37 O LIG 1 -6.309 3.905 1.741 0.00 0.00 -0.391 OA ATOM 38 H LIG 1 -6.982 3.209 1.627 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8