REMARK Name = BDB057498 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.442 -0.196 1.490 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.776 -1.053 0.261 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.606 -2.255 0.125 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -3.375 -0.347 -0.727 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -3.591 -1.036 -1.391 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.618 -0.112 2.399 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.237 -0.928 2.265 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.384 1.067 2.246 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.622 1.096 1.568 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.341 2.298 1.466 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.813 3.481 1.985 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.572 3.469 2.616 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.865 2.272 2.743 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.181 -0.151 0.977 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.992 -1.229 1.539 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.937 -0.135 -0.300 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.985 -1.047 -0.467 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.705 -1.073 -1.663 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.370 -0.199 -2.697 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.311 0.696 -2.543 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.588 0.726 -1.349 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.268 -0.814 2.272 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.518 -0.299 0.234 0.00 0.00 +0.121 A ATOM 24 C LIG 1 1.971 0.738 0.995 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.754 0.574 1.660 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.062 -0.639 1.574 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.612 -1.677 0.814 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.832 -1.509 0.149 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.711 0.005 -0.355 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 4.355 -0.971 -1.174 0.00 0.00 +0.229 C BRANCH 30 31 ATOM 31 C LIG 1 5.216 -1.924 -0.341 0.00 0.00 +0.047 C BRANCH 31 32 ATOM 32 C LIG 1 6.358 -1.222 0.401 0.00 0.00 +0.059 C BRANCH 32 36 ATOM 33 C LIG 1 8.393 2.188 -2.428 0.00 0.00 +0.065 C ATOM 34 C LIG 1 8.448 0.796 -1.874 0.00 0.00 +0.039 A ATOM 35 N LIG 1 7.455 0.424 -1.033 0.00 0.00 -0.257 NA ATOM 36 C LIG 1 7.488 -0.827 -0.516 0.00 0.00 +0.042 A ATOM 37 C LIG 1 8.495 -1.735 -0.829 0.00 0.00 +0.023 A ATOM 38 C LIG 1 9.509 -1.340 -1.695 0.00 0.00 +0.003 A ATOM 39 C LIG 1 9.489 -0.056 -2.226 0.00 0.00 +0.023 A ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13