REMARK Name = BDB027498 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 0.276 0.402 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.522 -0.043 -0.667 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.416 0.933 -1.145 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.450 2.201 -0.568 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.615 2.534 0.443 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.772 1.577 0.902 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.380 3.263 -1.008 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.656 2.970 -1.525 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.512 3.993 -1.933 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.718 3.677 -2.424 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.125 5.321 -1.832 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.952 6.299 -2.227 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.879 5.646 -1.317 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.017 4.623 -0.907 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.611 -1.456 1.068 0.00 0.00 +0.033 C ATOM 16 C LIG 1 1.592 -0.511 0.357 0.00 0.00 +0.127 C ATOM 17 N LIG 1 0.223 -0.679 0.902 0.00 0.00 -0.327 N ATOM 18 C LIG 1 0.134 -0.940 2.355 0.00 0.00 +0.105 C ATOM 19 C LIG 1 1.376 -0.464 3.102 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.677 -1.078 2.569 0.00 0.00 +0.025 C BRANCH 15 21 ATOM 21 N LIG 1 2.148 -2.866 0.993 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 2.002 -3.128 0.019 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.873 -3.491 1.348 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 4.007 -1.411 0.396 0.00 0.00 +0.032 C BRANCH 24 25 ATOM 25 C LIG 1 4.627 -0.016 0.229 0.00 0.00 +0.098 C BRANCH 25 28 ATOM 26 C LIG 1 6.238 2.398 -0.019 0.00 0.00 +0.131 C ATOM 27 N LIG 1 6.682 1.127 -0.571 0.00 0.00 -0.308 N ATOM 28 C LIG 1 6.018 -0.083 -0.390 0.00 0.00 +0.215 C ATOM 29 O LIG 1 6.511 -1.161 -0.721 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 8.054 1.090 -1.053 0.00 0.00 +0.131 C ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 -1.546 -1.422 -1.281 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -2.491 -2.287 -0.606 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -3.826 -2.401 -0.884 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -4.287 -3.370 -0.006 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -5.655 -3.681 -0.073 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -6.418 -3.045 -0.992 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -5.832 -2.120 -1.782 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -3.256 -3.863 0.770 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -4.541 -1.728 -1.803 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -2.193 -3.189 0.382 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -6.260 -4.630 0.741 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -5.602 -5.288 1.144 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -7.108 -4.998 0.332 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9