REMARK Name = BDB038444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.379 2.388 -0.813 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.768 1.808 -0.419 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.750 0.700 0.341 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.456 0.122 0.727 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.668 0.697 0.321 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.608 1.867 -0.440 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.981 0.133 0.733 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.233 0.608 0.337 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.566 1.509 -0.409 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.230 -0.239 1.007 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.609 -0.171 0.941 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.337 -1.103 1.680 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.677 -2.073 2.459 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.272 -2.132 2.516 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.563 -1.192 1.772 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.088 -1.000 1.631 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.554 -3.163 3.343 0.00 0.00 +0.418 C ATOM 18 F LIG 1 2.771 -2.596 4.302 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.378 -4.031 3.987 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.713 -3.926 2.590 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -2.962 0.083 0.684 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -3.930 -0.303 -0.277 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -5.163 -0.836 0.145 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -5.440 -1.018 1.502 0.00 0.00 +0.052 A ATOM 25 C LIG 1 -4.486 -0.656 2.452 0.00 0.00 +0.019 A ATOM 26 C LIG 1 -3.265 -0.109 2.047 0.00 0.00 +0.010 A BRANCH 22 27 ATOM 27 C LIG 1 -3.731 -0.139 -1.717 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -2.805 -0.782 -2.501 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -1.857 -1.795 -2.126 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -2.973 -0.301 -3.765 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -3.958 0.564 -3.777 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -4.445 0.654 -2.496 0.00 0.00 -0.129 NA ENDBRANCH 22 27 BRANCH 24 33 ATOM 33 C LIG 1 -6.696 -1.572 1.915 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -7.704 -2.034 2.257 0.00 0.00 -0.191 NA ENDBRANCH 24 33 ENDBRANCH 5 21 BRANCH 1 35 ATOM 35 N LIG 1 -0.358 3.573 -1.560 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -1.019 3.517 -2.329 0.00 0.00 +0.147 HD BRANCH 35 38 ATOM 37 C LIG 1 1.462 3.282 -3.205 0.00 0.00 +0.024 C ATOM 38 C LIG 1 0.959 4.043 -1.987 0.00 0.00 +0.099 C ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 7