REMARK Name = BDB002146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.056 0.870 0.129 0.00 0.00 +0.123 C ATOM 2 N LIG 1 0.220 0.243 1.188 0.00 0.00 -0.263 N ATOM 3 C LIG 1 0.588 0.373 2.538 0.00 0.00 +0.220 C ATOM 4 O LIG 1 -0.130 0.114 3.503 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 1.970 0.937 2.785 0.00 0.00 +0.097 C ATOM 6 C LIG 1 2.963 0.343 1.810 0.00 0.00 +0.024 C ATOM 7 C LIG 1 2.579 0.743 0.391 0.00 0.00 +0.101 C ENDROOT BRANCH 7 8 ATOM 8 C LIG 1 3.299 -0.086 -0.676 0.00 0.00 +0.221 C ATOM 9 N LIG 1 2.970 -1.409 -0.928 0.00 0.00 -0.301 N ATOM 10 C LIG 1 1.951 -2.215 -0.247 0.00 0.00 +0.108 C ATOM 11 C LIG 1 2.367 -3.678 -0.141 0.00 0.00 +0.019 C ATOM 12 C LIG 1 2.610 -4.307 -1.512 0.00 0.00 +0.003 C ATOM 13 C LIG 1 2.964 -3.275 -2.580 0.00 0.00 +0.019 C ATOM 14 C LIG 1 3.718 -2.086 -1.997 0.00 0.00 +0.108 C ATOM 15 O LIG 1 4.200 0.471 -1.315 0.00 0.00 -0.275 OA ENDBRANCH 7 8 BRANCH 1 19 ATOM 16 C LIG 1 -0.022 4.987 -0.856 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -0.489 4.418 0.327 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -0.149 3.100 0.663 0.00 0.00 +0.009 A ATOM 19 C LIG 1 0.665 2.325 -0.177 0.00 0.00 -0.026 A ATOM 20 C LIG 1 1.125 2.912 -1.369 0.00 0.00 +0.009 A ATOM 21 C LIG 1 0.786 4.226 -1.700 0.00 0.00 +0.046 A BRANCH 16 23 ATOM 22 C LIG 1 -1.082 7.077 -0.461 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -0.281 6.254 -1.298 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 1 19 BRANCH 2 24 ATOM 24 C LIG 1 -1.014 -0.417 0.808 0.00 0.00 +0.044 A ATOM 25 C LIG 1 -1.663 -0.122 -0.405 0.00 0.00 +0.073 A ATOM 26 C LIG 1 -2.830 -0.790 -0.797 0.00 0.00 +0.167 A ATOM 27 C LIG 1 -3.365 -1.771 0.048 0.00 0.00 +0.204 A ATOM 28 C LIG 1 -2.742 -2.096 1.259 0.00 0.00 +0.167 A ATOM 29 C LIG 1 -1.573 -1.419 1.622 0.00 0.00 +0.073 A BRANCH 26 30 ATOM 30 O LIG 1 -3.514 -0.555 -1.962 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 -3.007 0.440 -2.841 0.00 0.00 +0.277 C ENDBRANCH 26 30 BRANCH 27 32 ATOM 32 O LIG 1 -4.483 -2.470 -0.352 0.00 0.00 -0.488 OA ATOM 33 C LIG 1 -5.657 -1.826 0.139 0.00 0.00 +0.277 C ENDBRANCH 27 32 BRANCH 28 34 ATOM 34 O LIG 1 -3.329 -3.092 1.998 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -2.865 -3.275 3.330 0.00 0.00 +0.277 C ENDBRANCH 28 34 ENDBRANCH 2 24 TORSDOF 7