REMARK Name = BDB048681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.201 -1.912 -1.393 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.239 -3.152 -1.090 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -0.683 -4.170 -1.072 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 0.039 -5.274 -0.736 0.00 0.00 +0.157 A ATOM 5 C LIG 1 1.354 -4.880 -0.567 0.00 0.00 +0.111 A ATOM 6 C LIG 1 2.309 -5.841 -0.213 0.00 0.00 +0.031 A ATOM 7 C LIG 1 1.882 -7.167 -0.045 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.539 -7.524 -0.227 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.426 -6.574 -0.581 0.00 0.00 +0.048 A ATOM 10 N LIG 1 1.466 -3.535 -0.796 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -1.597 -1.646 -1.709 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 -3.066 1.123 0.477 0.00 0.00 +0.122 A ATOM 13 C LIG 1 -2.501 0.447 -0.607 0.00 0.00 +0.050 A ATOM 14 C LIG 1 -2.295 -0.941 -0.568 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -2.692 -1.649 0.573 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.281 -0.982 1.646 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.469 0.402 1.600 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 -3.191 2.474 0.305 0.00 0.00 -0.478 OA BRANCH 18 20 ATOM 19 C LIG 1 -3.506 4.708 1.000 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.180 3.292 1.470 0.00 0.00 +0.278 C BRANCH 20 21 ATOM 21 C LIG 1 -1.831 3.337 2.211 0.00 0.00 +0.346 C ATOM 22 O LIG 1 -0.757 2.968 1.757 0.00 0.00 -0.247 OA BRANCH 21 23 ATOM 23 O LIG 1 -1.926 3.856 3.463 0.00 0.00 -0.478 OA ATOM 24 H LIG 1 -2.825 4.121 3.732 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 C LIG 1 0.738 -0.791 -1.345 0.00 0.00 +0.113 C BRANCH 25 26 ATOM 26 C LIG 1 1.078 -0.400 0.098 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 1.525 1.055 0.196 0.00 0.00 +0.230 C BRANCH 27 28 ATOM 28 O LIG 1 2.680 1.246 -0.622 0.00 0.00 -0.492 OA BRANCH 28 29 ATOM 29 C LIG 1 3.193 2.514 -0.671 0.00 0.00 +0.121 A ATOM 30 C LIG 1 4.311 2.659 -1.496 0.00 0.00 +0.045 A ATOM 31 C LIG 1 4.934 3.901 -1.639 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.439 5.008 -0.954 0.00 0.00 +0.000 A ATOM 33 C LIG 1 3.324 4.870 -0.129 0.00 0.00 +0.004 A ATOM 34 C LIG 1 2.701 3.626 0.014 0.00 0.00 +0.045 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 12