REMARK Name = BDB025741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.406 -0.611 -0.099 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.695 0.613 -0.131 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.700 0.630 -0.038 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.432 -0.566 0.088 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.702 -1.767 0.122 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.342 -2.942 0.227 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.690 -1.799 0.032 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.133 -2.493 -1.991 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.813 -1.014 -1.726 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.544 -0.439 -0.582 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.984 -0.353 -0.750 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.066 -0.876 0.751 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.926 -1.940 1.447 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.574 -1.337 0.768 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.812 -0.563 -0.225 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.264 -0.797 -1.622 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.900 -0.550 0.180 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.705 0.278 -0.576 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.056 0.312 -0.512 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.665 -0.513 0.354 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.976 -1.359 1.135 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.627 -1.359 1.030 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.044 -0.510 0.417 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.700 -1.069 1.603 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.627 -0.019 2.236 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.645 0.470 1.347 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.249 0.460 -0.034 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.734 0.600 -0.244 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.508 1.761 -0.234 0.00 0.00 -0.279 N ATOM 30 H LIG 1 -2.493 1.511 -0.238 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.137 3.086 -0.331 0.00 0.00 +0.270 C ATOM 32 O LIG 1 0.025 3.480 -0.358 0.00 0.00 -0.268 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.265 4.025 -0.413 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -2.102 5.399 -0.527 0.00 0.00 -0.212 NA ATOM 35 C LIG 1 -3.325 5.867 -0.571 0.00 0.00 +0.308 A ATOM 36 O LIG 1 -4.303 4.926 -0.498 0.00 0.00 -0.450 OA ATOM 37 C LIG 1 -3.619 3.752 -0.398 0.00 0.00 +0.230 A ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 5