REMARK Name = BDB007000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.156 0.350 0.082 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.951 -0.766 -0.148 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.282 -0.924 0.288 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.793 -2.141 -0.144 0.00 0.00 -0.001 A ATOM 5 C LIG 1 4.086 -2.475 0.190 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.878 -1.666 0.924 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 4.359 -0.475 1.341 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.798 -2.915 -0.962 0.00 0.00 +0.009 C ATOM 9 C LIG 1 2.275 -3.071 -2.410 0.00 0.00 +0.017 C ATOM 10 C LIG 1 1.499 -4.285 -0.345 0.00 0.00 +0.017 C ATOM 11 C LIG 1 3.061 -0.065 1.040 0.00 0.00 +0.047 A ATOM 12 C LIG 1 0.559 -1.985 -0.882 0.00 0.00 +0.124 C ATOM 13 O LIG 1 0.554 1.362 0.663 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.293 0.285 -0.455 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -2.982 -2.139 2.964 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -2.939 -1.419 1.617 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -4.306 -1.341 1.071 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -4.902 -0.884 1.763 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -4.333 -0.527 -0.160 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -3.670 0.872 0.003 0.00 0.00 +0.091 C ATOM 21 N LIG 1 -2.276 0.794 0.536 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.284 -0.020 1.774 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.780 1.720 -1.294 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 N LIG 1 -5.148 2.111 -1.628 0.00 0.00 -0.311 N ATOM 25 C LIG 1 -5.866 1.389 -2.574 0.00 0.00 +0.270 A ATOM 26 O LIG 1 -5.477 0.404 -3.185 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -7.269 1.901 -2.826 0.00 0.00 +0.181 A ATOM 28 N LIG 1 -7.794 2.923 -2.219 0.00 0.00 -0.256 NA ATOM 29 C LIG 1 -6.992 3.555 -1.302 0.00 0.00 +0.128 A ATOM 30 C LIG 1 -5.737 3.192 -1.004 0.00 0.00 +0.109 A ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 31 ATOM 31 C LIG 1 5.274 0.425 2.141 0.00 0.00 +0.093 C BRANCH 31 32 ATOM 32 C LIG 1 5.890 1.531 1.319 0.00 0.00 -0.006 A ATOM 33 C LIG 1 5.439 2.849 1.445 0.00 0.00 +0.130 A ATOM 34 F LIG 1 4.462 3.140 2.315 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.984 3.877 0.685 0.00 0.00 +0.077 A ATOM 36 C LIG 1 6.995 3.581 -0.218 0.00 0.00 +0.126 A ATOM 37 F LIG 1 7.529 4.562 -0.957 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.464 2.280 -0.371 0.00 0.00 +0.039 A ATOM 39 C LIG 1 6.911 1.252 0.396 0.00 0.00 +0.009 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 6