REMARK Name = BDB060152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.194 -0.122 0.188 0.00 0.00 -0.325 N ATOM 2 C LIG 1 0.978 -0.605 0.715 0.00 0.00 +0.035 A ATOM 3 C LIG 1 0.701 -0.957 2.028 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -0.584 -1.398 2.360 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.586 -1.474 1.383 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.316 -1.100 0.063 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -0.036 -0.669 -0.250 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.502 -0.192 -1.557 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.010 -0.260 -1.274 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 3.435 -0.630 0.773 0.00 0.00 +0.140 C BRANCH 10 13 ATOM 11 C LIG 1 6.791 -0.060 -0.968 0.00 0.00 +0.121 A ATOM 12 C LIG 1 5.660 -0.686 -0.438 0.00 0.00 +0.050 A ATOM 13 C LIG 1 4.646 0.058 0.182 0.00 0.00 -0.026 A ATOM 14 C LIG 1 4.784 1.451 0.264 0.00 0.00 +0.008 A ATOM 15 C LIG 1 5.903 2.095 -0.277 0.00 0.00 -0.047 A ATOM 16 C LIG 1 6.049 3.584 -0.163 0.00 0.00 +0.044 C ATOM 17 C LIG 1 6.911 1.329 -0.882 0.00 0.00 +0.049 A BRANCH 11 19 ATOM 18 C LIG 1 8.869 -0.327 -2.092 0.00 0.00 +0.277 C ATOM 19 O LIG 1 7.699 -0.912 -1.535 0.00 0.00 -0.495 OA ENDBRANCH 11 19 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 N LIG 1 -2.325 -1.160 -0.951 0.00 0.00 -0.192 N BRANCH 20 21 ATOM 21 S LIG 1 -3.274 0.235 -1.235 0.00 0.00 +0.076 S ATOM 22 O LIG 1 -4.187 -0.058 -2.321 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 -2.399 1.381 -1.371 0.00 0.00 -0.150 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.251 0.439 0.285 0.00 0.00 +0.115 A ATOM 25 C LIG 1 -3.756 1.241 1.350 0.00 0.00 -0.023 A ATOM 26 C LIG 1 -2.494 2.067 1.296 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -4.510 1.350 2.536 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -5.736 0.705 2.688 0.00 0.00 -0.050 A ATOM 29 C LIG 1 -6.533 0.868 3.948 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -6.249 -0.017 1.611 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -5.537 -0.156 0.402 0.00 0.00 -0.023 A ATOM 32 C LIG 1 -6.265 -0.872 -0.706 0.00 0.00 +0.046 C ENDBRANCH 21 24 ENDBRANCH 20 21 BRANCH 20 33 ATOM 33 C LIG 1 -2.947 -2.485 -1.166 0.00 0.00 +0.251 C BRANCH 33 34 ATOM 34 C LIG 1 -3.367 -2.748 -2.591 0.00 0.00 +0.324 C ATOM 35 O LIG 1 -4.356 -3.383 -2.932 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 O LIG 1 -2.500 -2.287 -3.516 0.00 0.00 -0.479 OA ATOM 37 H LIG 1 -2.948 -2.451 -4.372 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 20 33 ENDBRANCH 6 20 TORSDOF 9