REMARK Name = BDB048686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.692 1.046 -1.345 0.00 0.00 -0.282 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.036 2.356 -1.301 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -1.320 3.167 -0.455 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -1.885 4.396 -0.610 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.907 4.276 -1.533 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -3.653 5.413 -1.870 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -3.323 6.628 -1.249 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.278 6.706 -0.319 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -1.525 5.578 0.027 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -2.991 2.978 -1.963 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -0.393 0.627 -0.811 0.00 0.00 +0.114 C BRANCH 11 12 ATOM 12 C LIG 1 -0.506 0.300 0.686 0.00 0.00 +0.054 C BRANCH 12 15 ATOM 13 C LIG 1 3.020 -0.815 1.601 0.00 0.00 +0.122 A ATOM 14 C LIG 1 1.947 -0.020 1.200 0.00 0.00 +0.049 A ATOM 15 C LIG 1 0.646 -0.540 1.181 0.00 0.00 -0.042 A ATOM 16 C LIG 1 0.432 -1.852 1.622 0.00 0.00 +0.004 A ATOM 17 C LIG 1 1.499 -2.624 2.083 0.00 0.00 +0.004 A ATOM 18 C LIG 1 2.792 -2.100 2.085 0.00 0.00 +0.046 A BRANCH 13 19 ATOM 19 O LIG 1 4.270 -0.263 1.634 0.00 0.00 -0.475 OA BRANCH 19 21 ATOM 20 C LIG 1 6.330 0.379 0.721 0.00 0.00 +0.067 C ATOM 21 C LIG 1 5.124 -0.558 0.512 0.00 0.00 +0.200 C ATOM 22 C LIG 1 5.627 -2.010 0.612 0.00 0.00 +0.067 C BRANCH 21 23 ATOM 23 C LIG 1 4.582 -0.220 -0.914 0.00 0.00 +0.348 C ATOM 24 O LIG 1 3.623 0.501 -1.153 0.00 0.00 -0.247 OA BRANCH 23 25 ATOM 25 O LIG 1 5.308 -0.732 -1.941 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 6.104 -1.238 -1.701 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 13 19 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 27 ATOM 27 C LIG 1 -2.365 0.199 -2.338 0.00 0.00 +0.150 C BRANCH 27 28 ATOM 28 C LIG 1 -2.555 -1.258 -1.879 0.00 0.00 +0.248 C BRANCH 28 29 ATOM 29 O LIG 1 -3.424 -1.297 -0.744 0.00 0.00 -0.490 OA BRANCH 29 30 ATOM 30 C LIG 1 -3.471 -2.472 -0.047 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -3.022 -3.712 -0.505 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -3.124 -4.840 0.315 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.679 -4.734 1.590 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.138 -3.501 2.045 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.038 -2.376 1.226 0.00 0.00 +0.045 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 12