REMARK Name = BDB028882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.343 4.656 1.531 0.00 0.00 +0.153 C ATOM 2 N LIG 1 2.846 3.627 0.644 0.00 0.00 -0.302 N ATOM 3 C LIG 1 3.521 2.399 0.634 0.00 0.00 +0.263 A ATOM 4 O LIG 1 4.503 2.158 1.328 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.940 1.442 -0.286 0.00 0.00 +0.091 A ATOM 6 C LIG 1 3.243 0.098 -0.638 0.00 0.00 +0.014 A ATOM 7 C LIG 1 2.298 -0.283 -1.579 0.00 0.00 +0.097 A ATOM 8 N LIG 1 1.452 0.777 -1.798 0.00 0.00 -0.322 N ATOM 9 C LIG 1 1.833 1.829 -1.010 0.00 0.00 +0.149 A ATOM 10 N LIG 1 1.189 3.019 -0.976 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 1.734 3.864 -0.151 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 4.300 -0.789 -0.184 0.00 0.00 -0.013 A ATOM 13 C LIG 1 4.002 -2.090 0.238 0.00 0.00 +0.025 A ATOM 14 C LIG 1 5.021 -2.954 0.665 0.00 0.00 +0.080 A ATOM 15 C LIG 1 6.348 -2.503 0.701 0.00 0.00 +0.147 A ATOM 16 C LIG 1 6.647 -1.207 0.266 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 8.269 -0.612 0.265 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 5.630 -0.356 -0.175 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 4.627 -4.329 1.062 0.00 0.00 +0.245 C ATOM 20 O LIG 1 3.514 -4.586 1.498 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 5.561 -5.316 0.885 0.00 0.00 -0.325 N ATOM 22 H LIG 1 6.276 -5.202 0.173 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 5.198 -6.257 0.994 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 7.371 -3.291 1.170 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 6.992 -3.999 1.725 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 0.350 0.797 -2.743 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 -0.978 0.483 -2.083 0.00 0.00 +0.237 C ATOM 28 N LIG 1 -1.416 1.464 -1.209 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -0.798 2.268 -1.076 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -1.587 -0.543 -2.377 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 -2.611 1.478 -0.443 0.00 0.00 +0.057 A ATOM 32 C LIG 1 -2.904 2.601 0.334 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 -1.876 3.984 0.391 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 -4.070 2.598 1.077 0.00 0.00 +0.134 A ATOM 35 N LIG 1 -4.953 1.574 1.098 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 -4.689 0.485 0.345 0.00 0.00 +0.123 A ATOM 37 C LIG 1 -3.517 0.413 -0.417 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 -5.578 -0.606 0.370 0.00 0.00 -0.311 N ATOM 39 C LIG 1 -6.683 -0.440 1.341 0.00 0.00 +0.134 C ATOM 40 C LIG 1 -7.540 -1.715 1.376 0.00 0.00 +0.178 C ATOM 41 O LIG 1 -8.054 -2.039 0.073 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 -6.968 -2.249 -0.843 0.00 0.00 +0.178 C ATOM 43 C LIG 1 -6.077 -1.001 -0.966 0.00 0.00 +0.134 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7