REMARK Name = BDB024414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.523 0.248 0.177 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.406 1.573 0.923 0.00 0.00 -0.019 A ATOM 3 C LIG 1 -2.112 2.716 0.513 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.994 3.904 1.227 0.00 0.00 +0.124 A ATOM 5 F LIG 1 -2.668 4.988 0.819 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.191 3.986 2.358 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -0.497 2.859 2.787 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.609 1.659 2.078 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 C LIG 1 -1.370 0.447 -1.361 0.00 0.00 +0.240 C ATOM 10 N LIG 1 -0.158 0.541 -1.976 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.248 0.721 -2.966 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -2.367 0.546 -2.095 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 1.131 0.452 -1.455 0.00 0.00 +0.125 A ATOM 14 N LIG 1 1.339 0.165 -0.166 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.627 0.100 0.269 0.00 0.00 +0.136 A ATOM 16 C LIG 1 3.770 0.274 -0.517 0.00 0.00 +0.049 A ATOM 17 C LIG 1 3.500 0.582 -1.853 0.00 0.00 +0.028 A ATOM 18 C LIG 1 2.187 0.665 -2.330 0.00 0.00 +0.045 A BRANCH 16 19 ATOM 19 N LIG 1 5.083 0.218 -0.039 0.00 0.00 -0.318 N ATOM 20 C LIG 1 5.287 0.095 1.426 0.00 0.00 +0.201 C ATOM 21 C LIG 1 6.758 0.135 1.887 0.00 0.00 +0.233 C ATOM 22 O LIG 1 7.028 0.397 3.062 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 7.741 -0.230 0.966 0.00 0.00 -0.302 N ATOM 24 C LIG 1 9.131 -0.125 1.368 0.00 0.00 +0.132 C ATOM 25 C LIG 1 7.458 -0.148 -0.462 0.00 0.00 +0.126 C ATOM 26 C LIG 1 6.036 -0.588 -0.820 0.00 0.00 +0.124 C ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 27 ATOM 27 N LIG 1 -2.856 -0.346 0.483 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.543 0.169 -0.075 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.923 -1.766 0.116 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -4.343 -3.856 0.055 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -4.338 -2.352 0.353 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.437 -1.661 -0.445 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.579 -1.185 0.218 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.601 -0.546 -0.489 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.497 -0.374 -1.871 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.366 -0.846 -2.542 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.345 -1.487 -1.834 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -8.544 0.281 -2.597 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.395 0.807 -3.187 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9