REMARK Name = BDB060210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.334 -0.596 -0.236 0.00 0.00 -0.192 N ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 3.285 0.004 0.634 0.00 0.00 -0.316 N ATOM 3 C LIG 1 2.427 -0.473 -0.364 0.00 0.00 +0.056 A ATOM 4 C LIG 1 1.108 -0.340 0.103 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.024 -0.698 -0.740 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.301 -1.275 -1.988 0.00 0.00 +0.025 A ATOM 7 C LIG 1 1.610 -1.455 -2.416 0.00 0.00 +0.004 A ATOM 8 C LIG 1 1.192 0.138 1.436 0.00 0.00 +0.030 A ATOM 9 C LIG 1 2.685 -1.063 -1.618 0.00 0.00 +0.027 A ATOM 10 C LIG 1 2.520 0.295 1.748 0.00 0.00 +0.092 A BRANCH 2 13 ATOM 11 C LIG 1 6.716 0.672 -0.712 0.00 0.00 +0.122 A ATOM 12 C LIG 1 5.330 0.488 -0.647 0.00 0.00 +0.071 A ATOM 13 C LIG 1 4.701 0.183 0.567 0.00 0.00 +0.050 A ATOM 14 C LIG 1 5.476 0.095 1.731 0.00 0.00 +0.026 A ATOM 15 C LIG 1 6.859 0.276 1.668 0.00 0.00 +0.006 A ATOM 16 C LIG 1 7.479 0.560 0.449 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 8.594 1.167 -2.086 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.192 0.965 -1.961 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 2 13 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 S LIG 1 -2.376 0.331 -1.238 0.00 0.00 +0.076 S ATOM 20 O LIG 1 -2.753 -0.521 -2.343 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -1.786 1.631 -1.478 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.833 0.612 -0.203 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -3.673 1.107 1.115 0.00 0.00 -0.023 A ATOM 24 C LIG 1 -2.360 1.532 1.716 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -4.799 1.186 1.956 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -6.074 0.846 1.504 0.00 0.00 -0.050 A ATOM 27 C LIG 1 -7.254 0.916 2.428 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -6.228 0.413 0.187 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -5.131 0.317 -0.691 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -5.438 -0.089 -2.110 0.00 0.00 +0.046 C ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 1 31 ATOM 31 C LIG 1 -1.865 -1.863 0.330 0.00 0.00 +0.251 C BRANCH 31 32 ATOM 32 C LIG 1 -2.564 -2.835 -0.594 0.00 0.00 +0.324 C ATOM 33 O LIG 1 -1.985 -3.570 -1.382 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.912 -2.867 -0.451 0.00 0.00 -0.479 OA ATOM 35 H LIG 1 -4.295 -2.225 0.177 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 8