REMARK Name = BDB021273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.269 0.018 -0.728 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -1.238 -0.996 -0.995 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -2.538 -0.735 -0.607 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -3.307 -1.796 -1.024 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -2.421 -2.677 -1.599 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -2.911 0.448 0.056 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.021 1.372 0.290 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.141 -2.182 -1.568 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.721 1.126 -0.101 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.895 -0.310 -1.713 0.00 0.00 +0.037 A ATOM 11 C LIG 1 3.205 0.862 -2.026 0.00 0.00 +0.013 A ATOM 12 C LIG 1 1.850 0.973 -1.703 0.00 0.00 +0.009 A ATOM 13 C LIG 1 1.172 -0.085 -1.069 0.00 0.00 -0.013 A ATOM 14 C LIG 1 1.878 -1.268 -0.795 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.233 -1.386 -1.119 0.00 0.00 +0.013 A BRANCH 10 21 ATOM 16 C LIG 1 8.651 1.484 1.625 0.00 0.00 +0.105 C ATOM 17 N LIG 1 8.432 0.249 0.878 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 8.506 0.499 -0.579 0.00 0.00 +0.103 C ATOM 19 C LIG 1 7.687 -0.497 -1.419 0.00 0.00 +0.123 C ATOM 20 N LIG 1 6.266 -0.443 -1.062 0.00 0.00 -0.295 N ATOM 21 C LIG 1 5.320 -0.422 -2.081 0.00 0.00 +0.247 C ATOM 22 O LIG 1 5.594 -0.468 -3.277 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 5.973 -0.160 0.349 0.00 0.00 +0.123 C ATOM 24 C LIG 1 7.179 -0.423 1.271 0.00 0.00 +0.103 C ENDBRANCH 10 21 ENDBRANCH 1 13 BRANCH 5 25 ATOM 25 C LIG 1 -2.724 -3.950 -2.179 0.00 0.00 +0.121 C ATOM 26 N LIG 1 -3.015 -4.979 -2.632 0.00 0.00 -0.189 NA ENDBRANCH 5 25 BRANCH 6 27 ATOM 27 N LIG 1 -4.217 0.659 0.444 0.00 0.00 -0.310 N ATOM 28 H LIG 1 -4.293 1.644 0.700 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.763 -0.122 1.553 0.00 0.00 +0.143 C BRANCH 29 30 ATOM 30 C LIG 1 -6.163 0.329 1.853 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -7.219 0.154 0.963 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.256 -0.503 -0.366 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -8.639 -0.046 -0.833 0.00 0.00 +0.234 C ATOM 34 O LIG 1 -9.437 0.295 0.322 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -8.507 0.560 1.293 0.00 0.00 +0.124 A ATOM 36 C LIG 1 -8.809 1.151 2.503 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -7.766 1.350 3.405 0.00 0.00 +0.042 A ATOM 38 C LIG 1 -6.465 0.942 3.078 0.00 0.00 +0.129 A ATOM 39 F LIG 1 -5.490 1.142 3.976 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 6