REMARK Name = BDB050736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.804 -0.239 0.420 0.00 0.00 +0.075 A ATOM 2 C LIG 1 0.732 0.755 1.389 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.117 0.649 2.421 0.00 0.00 -0.202 F ATOM 4 C LIG 1 1.536 1.879 1.270 0.00 0.00 +0.159 A ATOM 5 F LIG 1 1.454 2.860 2.179 0.00 0.00 -0.202 F ATOM 6 C LIG 1 2.434 2.008 0.211 0.00 0.00 +0.045 A ATOM 7 C LIG 1 2.551 0.988 -0.747 0.00 0.00 -0.038 A ATOM 8 C LIG 1 1.716 -0.135 -0.639 0.00 0.00 +0.020 A ENDROOT BRANCH 1 15 ATOM 9 O LIG 1 -6.111 -2.519 -0.953 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -5.634 -1.584 -0.314 0.00 0.00 +0.247 C ATOM 11 N LIG 1 -4.288 -1.510 0.033 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -3.609 -0.287 0.482 0.00 0.00 +0.127 C ATOM 13 C LIG 1 -2.146 -0.218 0.017 0.00 0.00 +0.127 C ATOM 14 N LIG 1 -1.374 -1.410 0.398 0.00 0.00 -0.294 N ATOM 15 C LIG 1 0.007 -1.467 0.542 0.00 0.00 +0.250 C ATOM 16 O LIG 1 0.633 -2.509 0.725 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -2.129 -2.665 0.512 0.00 0.00 +0.127 C ATOM 18 C LIG 1 -3.434 -2.655 -0.289 0.00 0.00 +0.127 C BRANCH 10 19 ATOM 19 C LIG 1 -6.543 -0.490 0.098 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -6.637 -0.100 1.438 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -7.513 0.924 1.801 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -8.302 1.544 0.830 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -8.226 1.136 -0.503 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.352 0.113 -0.871 0.00 0.00 +0.013 A ENDBRANCH 10 19 ENDBRANCH 1 15 BRANCH 7 25 ATOM 25 C LIG 1 3.530 1.104 -1.895 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 4.942 1.463 -1.453 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.829 0.425 -0.867 0.00 0.00 +0.011 A ATOM 28 C LIG 1 7.104 0.828 -0.473 0.00 0.00 +0.050 A ATOM 29 C LIG 1 8.000 -0.087 0.093 0.00 0.00 +0.014 A ATOM 30 C LIG 1 7.616 -1.415 0.267 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.342 -1.826 -0.125 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.503 2.233 -0.657 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.615 2.631 -0.330 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.559 3.061 -1.214 0.00 0.00 -0.242 N ATOM 35 H LIG 1 6.819 4.033 -1.349 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 5.449 -0.911 -0.692 0.00 0.00 +0.010 A ATOM 37 N LIG 1 5.308 2.703 -1.605 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 4