REMARK Name = BDB038910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.478 -1.017 -0.385 0.00 0.00 +0.096 A ATOM 2 C LIG 1 3.286 -0.003 0.141 0.00 0.00 +0.074 A ATOM 3 N LIG 1 2.953 1.214 0.694 0.00 0.00 -0.352 N ATOM 4 H LIG 1 2.005 1.548 0.812 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 4.077 1.906 1.078 0.00 0.00 +0.050 A ATOM 6 C LIG 1 5.176 1.096 0.785 0.00 0.00 +0.010 A ATOM 7 C LIG 1 6.469 1.571 1.091 0.00 0.00 +0.052 A ATOM 8 C LIG 1 6.603 2.833 1.672 0.00 0.00 +0.159 A ATOM 9 F LIG 1 7.831 3.287 1.961 0.00 0.00 -0.202 F ATOM 10 C LIG 1 5.492 3.617 1.952 0.00 0.00 +0.160 A ATOM 11 F LIG 1 5.650 4.825 2.510 0.00 0.00 -0.202 F ATOM 12 C LIG 1 4.201 3.173 1.663 0.00 0.00 +0.067 A ATOM 13 C LIG 1 4.674 -0.113 0.208 0.00 0.00 +0.012 A ATOM 14 C LIG 1 5.275 -1.289 -0.261 0.00 0.00 +0.045 A ATOM 15 CA LIG 1 4.424 -2.275 -0.747 0.00 0.00 +0.149 A ATOM 16 N LIG 1 3.073 -2.160 -0.808 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -1.789 -0.761 -0.629 0.00 0.00 +0.051 A ATOM 18 C LIG 1 -1.185 -1.840 0.018 0.00 0.00 +0.025 A ATOM 19 C LIG 1 0.209 -1.927 0.075 0.00 0.00 +0.012 A ATOM 20 C LIG 1 1.022 -0.928 -0.485 0.00 0.00 +0.003 A ATOM 21 C LIG 1 0.395 0.150 -1.133 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -0.998 0.238 -1.197 0.00 0.00 +0.025 A BRANCH 17 24 ATOM 23 C LIG 1 -3.970 -1.742 -1.217 0.00 0.00 +0.157 C ATOM 24 N LIG 1 -3.219 -0.590 -0.664 0.00 0.00 -0.206 N BRANCH 24 25 ATOM 25 S LIG 1 -3.839 0.036 0.817 0.00 0.00 +0.074 S ATOM 26 O LIG 1 -3.089 1.220 1.185 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -3.991 -1.071 1.741 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -5.463 0.585 0.344 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -6.597 -0.060 0.845 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -7.862 0.388 0.462 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.986 1.474 -0.406 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.849 2.121 -0.894 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.581 1.680 -0.518 0.00 0.00 +0.029 A ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 15 34 ATOM 34 C LIG 1 5.034 -3.548 -1.236 0.00 0.00 +0.355 C ATOM 35 O LIG 1 6.228 -3.796 -1.264 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 OXT LIG 1 4.128 -4.450 -1.663 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 4.660 -5.219 -1.951 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 15 34 TORSDOF 6