REMARK Name = BDB061675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.571 1.797 2.671 0.00 0.00 -0.013 A ATOM 2 C LIG 1 2.223 1.562 2.289 0.00 0.00 -0.016 A ATOM 3 C LIG 1 1.884 1.100 0.886 0.00 0.00 +0.105 C ATOM 4 S LIG 1 1.555 -0.692 0.841 0.00 0.00 -0.154 S ATOM 5 C LIG 1 1.129 -0.897 -0.930 0.00 0.00 +0.101 C ATOM 6 C LIG 1 -0.343 -0.587 -1.237 0.00 0.00 +0.169 C ATOM 7 N LIG 1 -0.605 0.862 -1.284 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -0.433 1.258 -2.209 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -1.670 1.485 -0.699 0.00 0.00 +0.237 C ATOM 10 C LIG 1 -2.216 0.990 0.651 0.00 0.00 +0.197 C ATOM 11 C LIG 1 -2.055 2.124 1.673 0.00 0.00 +0.264 C ATOM 12 O LIG 1 -0.672 2.295 2.045 0.00 0.00 -0.459 OA ATOM 13 C LIG 1 -0.219 1.455 3.006 0.00 0.00 +0.340 C ATOM 14 O LIG 1 -0.875 0.635 3.622 0.00 0.00 -0.245 OA ATOM 15 O LIG 1 -2.179 2.456 -1.268 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 1.211 1.731 3.266 0.00 0.00 +0.064 A ATOM 17 C LIG 1 1.523 2.120 4.575 0.00 0.00 +0.015 A ATOM 18 C LIG 1 2.842 2.368 4.932 0.00 0.00 +0.001 A ATOM 19 C LIG 1 3.853 2.208 3.988 0.00 0.00 +0.009 A ENDROOT BRANCH 1 23 ATOM 20 C LIG 1 6.864 1.220 -0.023 0.00 0.00 +0.059 A ATOM 21 C LIG 1 6.273 0.127 0.620 0.00 0.00 +0.015 A ATOM 22 C LIG 1 5.205 0.318 1.502 0.00 0.00 +0.009 A ATOM 23 C LIG 1 4.702 1.603 1.752 0.00 0.00 -0.018 A ATOM 24 C LIG 1 5.307 2.697 1.113 0.00 0.00 +0.009 A ATOM 25 C LIG 1 6.378 2.509 0.231 0.00 0.00 +0.015 A BRANCH 20 26 ATOM 26 C LIG 1 7.994 0.959 -0.956 0.00 0.00 +0.339 C ATOM 27 O LIG 1 8.408 -0.161 -1.214 0.00 0.00 -0.245 OA BRANCH 26 29 ATOM 28 C LIG 1 9.578 1.950 -2.361 0.00 0.00 +0.280 C ATOM 29 O LIG 1 8.483 2.124 -1.460 0.00 0.00 -0.464 OA ENDBRANCH 26 29 ENDBRANCH 20 26 ENDBRANCH 1 23 BRANCH 6 30 ATOM 30 C LIG 1 -0.665 -1.135 -2.647 0.00 0.00 +0.236 C ATOM 31 N LIG 1 -1.003 -2.473 -2.790 0.00 0.00 -0.306 N ATOM 32 C LIG 1 -1.387 -2.959 -4.107 0.00 0.00 +0.131 C ATOM 33 C LIG 1 -1.167 -3.431 -1.702 0.00 0.00 +0.131 C ATOM 34 O LIG 1 -0.547 -0.377 -3.618 0.00 0.00 -0.274 OA ENDBRANCH 6 30 BRANCH 10 35 ATOM 35 N LIG 1 -3.626 0.678 0.401 0.00 0.00 -0.300 N ATOM 36 H LIG 1 -4.139 1.402 -0.093 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 -4.019 -0.629 0.165 0.00 0.00 +0.234 C ATOM 38 O LIG 1 -3.284 -1.591 0.379 0.00 0.00 -0.274 OA BRANCH 37 39 ATOM 39 C LIG 1 -5.479 -0.762 -0.332 0.00 0.00 +0.162 C ATOM 40 N LIG 1 -5.776 -2.123 -0.766 0.00 0.00 -0.290 N ATOM 41 C LIG 1 -5.329 -2.595 -1.975 0.00 0.00 +0.213 C ATOM 42 O LIG 1 -4.658 -1.905 -2.741 0.00 0.00 -0.276 OA ATOM 43 C LIG 1 -5.691 -4.016 -2.318 0.00 0.00 +0.109 C ATOM 44 C LIG 1 -6.610 -2.825 0.196 0.00 0.00 +0.108 C ATOM 45 C LIG 1 -6.648 -1.911 1.413 0.00 0.00 +0.021 C ATOM 46 C LIG 1 -6.468 -0.518 0.810 0.00 0.00 +0.033 C ENDBRANCH 37 39 ENDBRANCH 10 35 TORSDOF 6