REMARK Name = BDB024261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.141 -0.346 0.735 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.287 -1.867 0.751 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.419 -2.635 -0.420 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.515 -4.030 -0.358 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.471 -4.678 0.876 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.333 -3.934 2.047 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.240 -2.540 1.987 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.200 -0.401 0.014 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.776 -0.936 -0.736 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.339 0.069 0.991 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.622 0.788 1.948 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.291 0.257 -0.287 0.00 0.00 +0.085 A ATOM 13 C LIG 1 4.534 0.762 0.760 0.00 0.00 +0.140 A ATOM 14 N LIG 1 3.200 0.559 0.886 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.575 -0.173 -0.052 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.262 -0.733 -1.125 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.636 -0.517 -1.247 0.00 0.00 +0.033 A BRANCH 12 22 ATOM 18 C LIG 1 10.017 1.763 0.327 0.00 0.00 +0.069 C ATOM 19 C LIG 1 8.743 1.157 -0.110 0.00 0.00 +0.080 A ATOM 20 N LIG 1 8.682 0.376 -1.227 0.00 0.00 -0.134 NA ATOM 21 N LIG 1 7.425 -0.010 -1.395 0.00 0.00 -0.061 NA ATOM 22 N LIG 1 6.678 0.503 -0.384 0.00 0.00 -0.218 N ATOM 23 C LIG 1 7.486 1.250 0.443 0.00 0.00 +0.139 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.574 0.305 -0.533 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.221 1.268 -0.519 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.036 0.364 -0.691 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.739 1.381 0.226 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.197 1.543 -0.146 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.614 2.629 -0.933 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.956 2.763 -1.305 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.895 1.811 -0.893 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.489 0.735 -0.095 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.146 0.600 0.274 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -9.269 1.945 -1.284 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -10.376 2.056 -1.613 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9