REMARK Name = BDB052944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.827 -1.917 -1.167 0.00 0.00 +0.069 C ATOM 2 C LIG 1 1.331 -0.815 -0.255 0.00 0.00 +0.084 C ATOM 3 N LIG 1 0.541 0.018 0.358 0.00 0.00 -0.089 NA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.804 -0.686 -0.045 0.00 0.00 -0.000 A ATOM 5 C LIG 1 3.651 -1.797 -0.105 0.00 0.00 +0.016 A ATOM 6 C LIG 1 5.034 -1.654 0.103 0.00 0.00 -0.008 A ATOM 7 C LIG 1 5.928 -2.862 0.030 0.00 0.00 +0.047 C ATOM 8 C LIG 1 5.567 -0.379 0.362 0.00 0.00 +0.124 A ATOM 9 C LIG 1 4.715 0.725 0.457 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.341 0.570 0.252 0.00 0.00 +0.013 A BRANCH 8 11 ATOM 11 O LIG 1 6.920 -0.322 0.575 0.00 0.00 -0.481 OA BRANCH 11 12 ATOM 12 C LIG 1 7.578 0.902 0.241 0.00 0.00 +0.349 C BRANCH 12 13 ATOM 13 C LIG 1 7.818 1.760 1.473 0.00 0.00 +0.343 C ATOM 14 O LIG 1 8.229 2.911 1.436 0.00 0.00 -0.247 OA BRANCH 13 15 ATOM 15 O LIG 1 7.550 1.118 2.636 0.00 0.00 -0.478 OA ATOM 16 H LIG 1 7.222 0.209 2.456 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 2 4 BRANCH 3 17 ATOM 17 O LIG 1 -0.808 -0.252 0.076 0.00 0.00 -0.387 OA BRANCH 17 18 ATOM 18 C LIG 1 -1.624 0.744 0.705 0.00 0.00 +0.321 C BRANCH 18 19 ATOM 19 C LIG 1 -3.071 0.443 0.533 0.00 0.00 +0.122 A ATOM 20 C LIG 1 -3.751 -0.731 0.787 0.00 0.00 +0.129 A ATOM 21 C LIG 1 -3.364 -2.063 1.281 0.00 0.00 +0.088 C ATOM 22 O LIG 1 -5.068 -0.528 0.488 0.00 0.00 -0.440 OA ATOM 23 C LIG 1 -5.127 0.775 0.065 0.00 0.00 +0.228 A ATOM 24 N LIG 1 -3.961 1.396 0.080 0.00 0.00 -0.210 NA BRANCH 23 25 ATOM 25 C LIG 1 -6.438 1.284 -0.327 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -7.592 0.487 -0.277 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -8.834 1.002 -0.660 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -8.939 2.321 -1.096 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.804 3.127 -1.149 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.563 2.611 -0.767 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 9