REMARK Name = BDB060137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.599 -1.775 0.127 0.00 0.00 -0.192 N ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 2.725 0.138 -0.543 0.00 0.00 -0.325 N ATOM 3 C LIG 1 1.425 0.064 -1.087 0.00 0.00 +0.035 A ATOM 4 C LIG 1 0.937 0.712 -2.212 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.399 0.525 -2.581 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.241 -0.298 -1.819 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -0.757 -0.936 -0.673 0.00 0.00 +0.057 A ATOM 8 C LIG 1 0.571 -0.743 -0.323 0.00 0.00 -0.002 A ATOM 9 C LIG 1 1.321 -1.275 0.851 0.00 0.00 +0.058 C ATOM 10 C LIG 1 2.764 -0.999 0.404 0.00 0.00 +0.110 C BRANCH 2 11 ATOM 11 C LIG 1 3.841 0.294 -1.476 0.00 0.00 +0.140 C BRANCH 11 15 ATOM 12 C LIG 1 6.735 2.785 1.825 0.00 0.00 +0.044 C ATOM 13 C LIG 1 6.565 1.675 0.831 0.00 0.00 -0.050 A ATOM 14 C LIG 1 5.347 1.507 0.159 0.00 0.00 +0.008 A ATOM 15 C LIG 1 5.158 0.449 -0.745 0.00 0.00 -0.030 A ATOM 16 C LIG 1 6.210 -0.449 -0.966 0.00 0.00 +0.005 A ATOM 17 C LIG 1 7.422 -0.297 -0.291 0.00 0.00 +0.001 A ATOM 18 C LIG 1 7.596 0.757 0.607 0.00 0.00 +0.003 A ENDBRANCH 11 15 ENDBRANCH 2 11 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 S LIG 1 -2.441 -1.066 1.436 0.00 0.00 +0.076 S ATOM 20 O LIG 1 -1.514 -0.278 2.222 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -3.186 -2.112 2.107 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.633 0.063 0.653 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -3.278 1.419 0.411 0.00 0.00 -0.023 A ATOM 24 C LIG 1 -1.995 2.072 0.863 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -4.201 2.265 -0.238 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -5.457 1.812 -0.634 0.00 0.00 -0.050 A ATOM 27 C LIG 1 -6.431 2.745 -1.292 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -5.825 0.505 -0.324 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -4.942 -0.383 0.325 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -5.516 -1.728 0.690 0.00 0.00 +0.046 C ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 1 31 ATOM 31 C LIG 1 -2.229 -2.914 -0.576 0.00 0.00 +0.251 C BRANCH 31 32 ATOM 32 C LIG 1 -2.433 -4.137 0.286 0.00 0.00 +0.324 C ATOM 33 O LIG 1 -3.379 -4.908 0.206 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O LIG 1 -1.418 -4.386 1.138 0.00 0.00 -0.479 OA ATOM 35 H LIG 1 -1.735 -5.139 1.679 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 8