REMARK Name = BDB014182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.804 -0.359 0.296 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.841 -0.732 1.635 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.012 -1.644 2.123 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.776 -0.167 2.496 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.700 0.760 2.007 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.708 1.115 0.648 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.742 0.555 -0.202 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.310 -1.520 -1.639 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.155 -0.963 -0.645 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.518 -0.847 -0.404 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.448 -1.488 -1.333 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.798 -1.855 -0.688 0.00 0.00 +0.125 C ATOM 13 N LIG 1 4.405 -0.727 0.047 0.00 0.00 -0.312 N ATOM 14 C LIG 1 3.557 0.461 0.244 0.00 0.00 +0.125 C ATOM 15 C LIG 1 2.120 0.041 0.604 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 5.765 -0.467 -0.163 0.00 0.00 +0.124 A ATOM 17 N LIG 1 6.157 0.814 -0.311 0.00 0.00 -0.210 NA ATOM 18 C LIG 1 7.478 1.015 -0.494 0.00 0.00 +0.203 A ATOM 19 C LIG 1 8.411 -0.007 -0.519 0.00 0.00 +0.105 A ATOM 20 N LIG 1 9.587 0.651 -0.720 0.00 0.00 -0.256 N ATOM 21 H LIG 1 10.526 0.280 -0.799 0.00 0.00 +0.191 HD ATOM 22 N LIG 1 9.409 1.980 -0.819 0.00 0.00 -0.066 NA ATOM 23 C LIG 1 8.051 -1.334 -0.351 0.00 0.00 +0.034 A ATOM 24 N LIG 1 8.107 2.215 -0.678 0.00 0.00 -0.109 NA ATOM 25 C LIG 1 6.681 -1.536 -0.165 0.00 0.00 +0.046 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -3.716 2.105 0.108 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -5.155 1.765 0.476 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -5.877 0.689 -0.252 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -7.186 0.422 0.146 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.935 -0.579 -0.485 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.369 -1.317 -1.522 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.060 -1.056 -1.926 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.778 1.205 1.242 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -8.926 1.006 1.624 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.972 2.165 1.804 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -7.366 2.717 2.559 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.314 -0.054 -1.296 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -5.692 2.449 1.444 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4