REMARK Name = BDB037210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.018 -1.209 -1.260 0.00 0.00 -0.180 N ATOM 2 H LIG 1 0.359 -0.660 -2.042 0.00 0.00 +0.177 HD ATOM 3 C LIG 1 0.950 -1.886 -0.445 0.00 0.00 +0.281 C ATOM 4 O LIG 1 0.700 -2.896 0.194 0.00 0.00 -0.267 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 2.314 -1.256 -0.400 0.00 0.00 +0.131 A ATOM 6 N LIG 1 3.340 -2.098 -0.116 0.00 0.00 -0.208 NA ATOM 7 C LIG 1 4.584 -1.579 -0.074 0.00 0.00 +0.220 A ATOM 8 C LIG 1 4.872 -0.242 -0.331 0.00 0.00 +0.035 A ATOM 9 C LIG 1 3.795 0.607 -0.613 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.499 0.100 -0.649 0.00 0.00 +0.033 A BRANCH 7 11 ATOM 11 O LIG 1 5.644 -2.410 0.228 0.00 0.00 -0.479 OA ATOM 12 C LIG 1 5.245 -3.742 0.545 0.00 0.00 +0.279 C ENDBRANCH 7 11 BRANCH 8 13 ATOM 13 C LIG 1 6.274 0.296 -0.262 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 N LIG 1 6.530 0.931 1.022 0.00 0.00 -0.267 N ATOM 15 N LIG 1 6.327 2.259 1.171 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.672 2.489 2.441 0.00 0.00 +0.134 A ATOM 17 C LIG 1 7.100 1.323 3.101 0.00 0.00 +0.041 A ATOM 18 C LIG 1 7.001 0.330 2.156 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 BRANCH 1 19 ATOM 19 S LIG 1 -1.556 -1.679 -1.531 0.00 0.00 +0.078 S ATOM 20 O LIG 1 -1.822 -3.021 -1.073 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -1.768 -1.316 -2.921 0.00 0.00 -0.150 OA BRANCH 19 23 ATOM 22 C LIG 1 -2.238 -0.297 0.778 0.00 0.00 +0.147 A ATOM 23 C LIG 1 -2.530 -0.560 -0.556 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -3.623 0.075 -1.176 0.00 0.00 +0.036 A ATOM 25 C LIG 1 -4.431 0.995 -0.483 0.00 0.00 -0.037 A ATOM 26 C LIG 1 -4.096 1.256 0.859 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -3.012 0.627 1.478 0.00 0.00 +0.048 A BRANCH 25 28 ATOM 28 C LIG 1 -5.637 1.705 -1.136 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -5.410 3.234 -1.074 0.00 0.00 +0.018 C ATOM 30 C LIG 1 -6.922 1.354 -0.351 0.00 0.00 +0.018 C BRANCH 28 31 ATOM 31 C LIG 1 -5.870 1.357 -2.636 0.00 0.00 +0.166 C BRANCH 31 32 ATOM 32 O LIG 1 -6.285 0.006 -2.812 0.00 0.00 -0.394 OA ATOM 33 H LIG 1 -6.387 -0.145 -3.768 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 25 28 BRANCH 22 35 ATOM 34 C LIG 1 -1.579 -1.942 2.242 0.00 0.00 +0.277 C ATOM 35 O LIG 1 -1.165 -0.848 1.417 0.00 0.00 -0.493 OA ENDBRANCH 22 35 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 10