REMARK Name = BDB025672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.384 1.278 0.647 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.935 0.023 0.179 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.433 -0.236 0.057 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.391 0.734 0.405 0.00 0.00 -0.013 A ATOM 5 C LIG 1 0.930 1.975 0.877 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.436 2.245 0.996 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.210 3.397 1.868 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -4.864 3.594 1.336 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.708 2.892 0.041 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -3.248 2.495 -0.261 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -2.781 1.503 0.743 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -3.256 1.768 2.126 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -3.821 3.196 2.305 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 2.828 0.458 0.281 0.00 0.00 +0.019 A ATOM 15 C LIG 1 3.733 1.345 -0.265 0.00 0.00 +0.124 A ATOM 16 N LIG 1 5.061 1.121 -0.381 0.00 0.00 -0.222 NA ATOM 17 C LIG 1 5.539 -0.052 0.061 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.743 -0.985 0.608 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.422 -0.714 0.702 0.00 0.00 +0.124 A BRANCH 17 20 ATOM 20 N LIG 1 6.895 -0.299 -0.019 0.00 0.00 -0.295 N ATOM 21 C LIG 1 7.330 -1.677 0.223 0.00 0.00 +0.136 C ATOM 22 C LIG 1 8.853 -1.774 0.042 0.00 0.00 +0.179 C ATOM 23 O LIG 1 9.303 -1.407 -1.272 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 8.440 -0.465 -1.929 0.00 0.00 +0.179 C ATOM 25 C LIG 1 7.701 0.479 -0.965 0.00 0.00 +0.136 C ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 26 ATOM 26 N LIG 1 -1.950 -0.906 -0.136 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.877 -0.510 0.015 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.812 -2.211 -0.533 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -0.772 -2.840 -0.682 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.122 -2.898 -0.721 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -4.095 -2.547 -1.751 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -5.240 -3.254 -1.843 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -5.517 -4.374 -0.910 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -6.562 -5.007 -0.974 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -4.534 -4.639 0.010 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -4.711 -5.418 0.635 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -3.361 -3.931 0.104 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -3.780 -1.435 -2.701 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.548 -1.544 -3.251 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -4.661 -1.375 -3.735 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.845 -0.229 -2.082 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 6