REMARK Name = BDB038560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.325 2.322 0.593 0.00 0.00 +0.121 A ATOM 2 N LIG 1 2.227 1.447 0.110 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.789 0.279 -0.423 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.441 -0.035 -0.482 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.490 0.882 0.013 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.037 2.091 0.527 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.784 -0.593 -0.906 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.618 -1.853 -1.462 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.619 -2.517 -1.665 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.962 -2.337 -1.804 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.327 -3.537 -2.385 0.00 0.00 +0.013 A ATOM 12 C LIG 1 5.686 -3.758 -2.608 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.638 -2.784 -2.248 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.253 -1.566 -1.656 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.891 -1.365 -1.442 0.00 0.00 -0.006 A ATOM 16 C LIG 1 4.179 -0.193 -0.842 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 7.263 -0.520 -1.268 0.00 0.00 +0.418 C ATOM 18 F LIG 1 7.216 -0.223 0.059 0.00 0.00 -0.166 F ATOM 19 F LIG 1 7.064 0.657 -1.921 0.00 0.00 -0.166 F ATOM 20 F LIG 1 8.550 -0.880 -1.527 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -1.916 0.573 -0.034 0.00 0.00 +0.104 A ATOM 22 C LIG 1 -2.910 0.659 0.992 0.00 0.00 +0.064 A ATOM 23 C LIG 1 -4.080 0.249 0.392 0.00 0.00 +0.120 A ATOM 24 N LIG 1 -3.749 -0.074 -0.892 0.00 0.00 -0.270 N ATOM 25 N LIG 1 -2.458 0.125 -1.179 0.00 0.00 -0.170 NA BRANCH 22 26 ATOM 26 C LIG 1 -2.733 1.097 2.483 0.00 0.00 +0.167 A ATOM 27 N LIG 1 -3.679 1.182 3.472 0.00 0.00 -0.316 N ATOM 28 C LIG 1 -5.081 0.879 3.402 0.00 0.00 +0.152 C ATOM 29 C LIG 1 -3.033 1.625 4.587 0.00 0.00 +0.225 A ATOM 30 N LIG 1 -1.763 1.805 4.318 0.00 0.00 -0.138 NA ATOM 31 N LIG 1 -1.575 1.463 3.002 0.00 0.00 -0.129 NA ENDBRANCH 22 26 BRANCH 24 32 ATOM 32 C LIG 1 -4.645 -0.572 -1.920 0.00 0.00 +0.146 C BRANCH 32 33 ATOM 33 C LIG 1 -4.927 -2.079 -1.808 0.00 0.00 +0.004 C ATOM 34 C LIG 1 -6.042 -2.471 -2.779 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -3.678 -2.919 -2.087 0.00 0.00 +0.009 C ENDBRANCH 32 33 ENDBRANCH 24 32 ENDBRANCH 5 21 BRANCH 1 36 ATOM 36 N LIG 1 1.854 3.491 1.152 0.00 0.00 -0.329 N ATOM 37 H LIG 1 2.862 3.360 1.085 0.00 0.00 +0.147 HD BRANCH 36 39 ATOM 38 C LIG 1 2.204 4.885 3.114 0.00 0.00 +0.024 C ATOM 39 C LIG 1 1.429 3.712 2.535 0.00 0.00 +0.099 C ENDBRANCH 36 39 ENDBRANCH 1 36 TORSDOF 8