REMARK Name = BDB053210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.912 0.265 -0.024 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.538 1.529 -0.281 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.492 2.432 -0.503 0.00 0.00 +0.215 A ATOM 4 N LIG 1 2.799 2.178 -0.524 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 3.178 0.910 -0.272 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.251 -0.084 -0.023 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.639 0.659 -0.297 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.214 -0.311 0.572 0.00 0.00 +0.040 A ATOM 9 C LIG 1 6.607 -0.469 0.460 0.00 0.00 +0.095 A ATOM 10 C LIG 1 7.366 0.318 -0.478 0.00 0.00 +0.041 A ATOM 11 C LIG 1 8.676 -0.065 -0.354 0.00 0.00 +0.119 A ATOM 12 N LIG 1 8.655 -1.017 0.632 0.00 0.00 -0.263 N ATOM 13 H LIG 1 9.448 -1.517 1.015 0.00 0.00 +0.190 HD ATOM 14 C LIG 1 6.871 1.283 -1.345 0.00 0.00 +0.014 A ATOM 15 N LIG 1 7.431 -1.294 1.127 0.00 0.00 -0.172 NA ATOM 16 C LIG 1 5.471 1.417 -1.208 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 9.819 0.313 -0.964 0.00 0.00 -0.343 N ATOM 18 H LIG 1 10.668 -0.245 -0.919 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 9.773 0.887 -1.804 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 23 ATOM 20 C LIG 1 -0.838 -3.275 2.925 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -1.163 -2.134 1.964 0.00 0.00 +0.005 C ATOM 22 C LIG 1 0.127 -1.440 1.485 0.00 0.00 +0.110 C ATOM 23 N LIG 1 -0.071 -0.720 0.214 0.00 0.00 -0.313 N ATOM 24 C LIG 1 -1.443 -0.263 -0.058 0.00 0.00 +0.128 C ATOM 25 C LIG 1 -2.422 -1.464 -0.124 0.00 0.00 +0.094 C ATOM 26 C LIG 1 -1.975 -2.636 0.766 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 N LIG 1 -3.777 -1.056 0.231 0.00 0.00 -0.277 N ATOM 28 H LIG 1 -4.073 -1.056 1.197 0.00 0.00 +0.152 HD ATOM 29 C LIG 1 -4.546 -0.298 -0.600 0.00 0.00 +0.401 C ATOM 30 O LIG 1 -4.260 -0.012 -1.750 0.00 0.00 -0.226 OA BRANCH 29 31 ATOM 31 O LIG 1 -5.651 0.091 0.074 0.00 0.00 -0.445 OA BRANCH 31 32 ATOM 32 C LIG 1 -6.650 0.927 -0.565 0.00 0.00 +0.107 C ATOM 33 C LIG 1 -6.070 2.292 -0.952 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -7.290 0.215 -1.762 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -7.726 1.139 0.511 0.00 0.00 +0.055 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 25 27 ENDBRANCH 1 23 BRANCH 3 36 ATOM 36 N LIG 1 1.091 3.723 -0.783 0.00 0.00 -0.327 N ATOM 37 H LIG 1 1.802 4.185 -1.330 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 0.153 3.704 -1.160 0.00 0.00 +0.145 HD ENDBRANCH 3 36 TORSDOF 7