REMARK Name = BDB055679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.136 -1.112 2.435 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -0.936 -1.292 1.397 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.952 -0.348 1.581 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.030 -0.283 0.715 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.088 -1.179 -0.366 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.093 -2.172 -0.499 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.694 0.507 2.783 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.012 -2.234 0.382 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.199 0.268 3.038 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.471 -2.080 2.413 0.00 0.00 +0.111 A ATOM 11 N LIG 1 1.490 -1.224 1.915 0.00 0.00 -0.316 N ATOM 12 C LIG 1 2.061 -0.529 0.866 0.00 0.00 +0.135 A ATOM 13 C LIG 1 3.337 -1.027 0.799 0.00 0.00 +0.096 A ATOM 14 C LIG 1 4.247 -0.548 -0.165 0.00 0.00 +0.048 A ATOM 15 C LIG 1 3.846 0.417 -1.010 0.00 0.00 +0.091 A ATOM 16 N LIG 1 2.552 0.951 -0.958 0.00 0.00 -0.309 N ATOM 17 C LIG 1 1.578 0.499 -0.034 0.00 0.00 +0.277 A ATOM 18 O LIG 1 0.436 0.955 -0.004 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 3.598 -1.968 1.730 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 1.677 -4.333 3.139 0.00 0.00 +0.012 C ATOM 21 C LIG 1 2.294 -3.012 3.570 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 2.197 2.027 -1.887 0.00 0.00 +0.161 C BRANCH 22 23 ATOM 23 C LIG 1 2.877 3.329 -1.555 0.00 0.00 -0.010 A ATOM 24 C LIG 1 3.743 3.936 -2.460 0.00 0.00 +0.116 A ATOM 25 N LIG 1 4.387 5.103 -2.229 0.00 0.00 -0.263 NA ATOM 26 C LIG 1 4.152 5.701 -1.042 0.00 0.00 +0.111 A ATOM 27 C LIG 1 3.303 5.188 -0.076 0.00 0.00 +0.020 A ATOM 28 C LIG 1 2.656 3.985 -0.340 0.00 0.00 +0.008 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 -4.148 -1.046 -1.373 0.00 0.00 -0.007 A ATOM 30 C LIG 1 -3.912 -0.573 -2.688 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.000 -0.512 -3.584 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.288 -0.887 -3.200 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.519 -1.339 -1.908 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.459 -1.418 -1.006 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 -2.602 -0.145 -3.207 0.00 0.00 +0.180 A ATOM 36 N LIG 1 -1.522 0.304 -2.486 0.00 0.00 -0.239 N ATOM 37 H LIG 1 -1.395 0.424 -1.486 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -0.505 0.604 -3.311 0.00 0.00 -0.046 NA ATOM 39 N LIG 1 -0.963 0.365 -4.528 0.00 0.00 -0.023 NA ATOM 40 N LIG 1 -2.254 -0.090 -4.483 0.00 0.00 -0.108 NA ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 6