REMARK Name = BDB040286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.469 1.214 -0.573 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.923 1.607 0.674 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.593 1.312 1.029 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.829 0.607 0.103 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.411 0.145 0.189 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.193 -0.535 -1.081 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.343 -0.503 -1.877 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.565 -0.946 -2.989 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.370 0.220 -1.117 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.674 0.503 -1.481 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.052 -1.140 -1.413 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.140 -1.081 -0.520 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.404 -1.662 -0.788 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -3.538 -2.304 -2.032 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.478 -2.381 -2.934 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.246 -1.806 -2.623 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.657 -1.554 0.275 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -5.489 -2.888 0.425 0.00 0.00 +0.090 C ATOM 19 C LIG 1 -4.604 -3.250 1.635 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -3.536 -4.033 1.354 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -5.239 -3.828 2.678 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -4.289 -1.749 1.792 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 23 C LIG 1 -5.419 -0.249 -0.052 0.00 0.00 +0.244 C ATOM 24 F LIG 1 -4.500 0.765 0.015 0.00 0.00 -0.236 F BRANCH 23 25 ATOM 25 C LIG 1 -6.591 0.114 0.798 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -7.024 1.401 1.009 0.00 0.00 -0.318 N ATOM 27 C LIG 1 -6.469 2.619 0.481 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -8.110 1.312 1.825 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -8.350 0.052 2.095 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -7.402 -0.699 1.446 0.00 0.00 -0.132 NA ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 2.018 1.723 2.357 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.872 2.447 2.215 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.681 0.652 3.126 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.852 2.487 3.111 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 5.909 1.543 -0.904 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.810 0.762 -0.063 0.00 0.00 -0.310 NA ATOM 37 H LIG 1 6.665 -0.231 -0.244 0.00 0.00 +0.122 HD BRANCH 36 39 ATOM 38 C LIG 1 9.012 0.482 0.900 0.00 0.00 +0.023 C ATOM 39 C LIG 1 8.223 1.106 -0.253 0.00 0.00 +0.048 C ATOM 40 C LIG 1 8.775 0.604 -1.588 0.00 0.00 +0.023 C ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 8