REMARK Name = BDB027084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.577 -0.422 -0.701 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.381 -1.461 0.396 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.193 -1.088 1.623 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.389 -2.031 2.634 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.016 -3.358 2.431 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.552 -3.744 1.219 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.748 -2.803 0.207 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -2.072 -0.380 -1.146 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -2.459 -1.068 -2.098 0.00 0.00 -0.290 OA BRANCH 8 13 ATOM 10 C LIG 1 -6.260 1.966 0.309 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -4.925 1.536 0.276 0.00 0.00 +0.089 A ATOM 12 C LIG 1 -4.409 0.671 -0.689 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -3.016 0.464 -0.395 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -2.743 1.211 0.739 0.00 0.00 +0.095 A ATOM 15 C LIG 1 -5.284 0.204 -1.691 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -6.621 0.615 -1.686 0.00 0.00 +0.004 A ATOM 17 N LIG 1 -3.893 1.844 1.130 0.00 0.00 -0.357 N ATOM 18 H LIG 1 -3.998 2.454 1.929 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -7.099 1.481 -0.702 0.00 0.00 +0.048 A BRANCH 10 21 ATOM 20 C LIG 1 -7.973 3.244 1.342 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -6.617 2.815 1.318 0.00 0.00 -0.493 OA ENDBRANCH 10 21 ENDBRANCH 8 13 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 0.264 -0.665 -1.904 0.00 0.00 -0.303 NA ATOM 23 H LIG 1 -0.107 -1.495 -2.374 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 1.698 -0.828 -1.662 0.00 0.00 +0.086 C BRANCH 24 25 ATOM 25 C LIG 1 2.386 0.440 -1.136 0.00 0.00 +0.050 C BRANCH 25 26 ATOM 26 C LIG 1 3.873 0.233 -0.958 0.00 0.00 -0.046 A ATOM 27 C LIG 1 4.365 -0.398 0.196 0.00 0.00 +0.005 A ATOM 28 C LIG 1 5.735 -0.611 0.357 0.00 0.00 +0.029 A ATOM 29 C LIG 1 6.616 -0.188 -0.640 0.00 0.00 +0.105 A ATOM 30 C LIG 1 6.141 0.425 -1.803 0.00 0.00 +0.029 A ATOM 31 C LIG 1 4.770 0.635 -1.957 0.00 0.00 +0.005 A BRANCH 29 32 ATOM 32 S LIG 1 8.358 -0.453 -0.453 0.00 0.00 +0.056 S ATOM 33 O LIG 1 8.936 -0.647 -1.760 0.00 0.00 -0.153 OA ATOM 34 O LIG 1 8.570 -1.376 0.639 0.00 0.00 -0.153 OA BRANCH 32 35 ATOM 35 N LIG 1 8.864 1.048 0.124 0.00 0.00 -0.204 NA ATOM 36 H LIG 1 9.226 0.930 1.071 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 8.137 1.760 0.079 0.00 0.00 +0.144 HD ENDBRANCH 32 35 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 10