REMARK Name = BDB035172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.478 -0.128 -0.743 0.00 0.00 +0.074 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.002 0.893 0.259 0.00 0.00 +0.001 A ATOM 3 C LIG 1 -2.417 0.976 0.526 0.00 0.00 +0.160 A ATOM 4 N LIG 1 -2.880 1.914 1.448 0.00 0.00 -0.220 N ATOM 5 N LIG 1 -4.225 1.811 1.551 0.00 0.00 -0.145 NA ATOM 6 C LIG 1 -4.519 0.840 0.675 0.00 0.00 +0.189 A ATOM 7 C LIG 1 -2.030 2.782 2.123 0.00 0.00 +0.115 A ATOM 8 C LIG 1 -0.710 2.728 1.892 0.00 0.00 +0.020 A ATOM 9 N LIG 1 -3.430 0.294 0.041 0.00 0.00 -0.206 NA ATOM 10 C LIG 1 -0.202 1.756 0.936 0.00 0.00 +0.009 A BRANCH 6 11 ATOM 11 C LIG 1 -5.862 0.363 0.434 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -6.637 -0.202 1.444 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.902 -0.636 1.194 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -8.364 -0.511 -0.056 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.697 0.003 -1.092 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -6.447 0.432 -0.821 0.00 0.00 +0.229 A BRANCH 12 17 ATOM 17 C LIG 1 -6.126 -0.374 2.865 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -5.067 -1.413 3.165 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -6.468 -1.619 3.654 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -5.720 1.014 -1.846 0.00 0.00 -0.479 OA ATOM 21 C LIG 1 -6.349 0.926 -3.119 0.00 0.00 +0.279 C ENDBRANCH 16 20 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 25 ATOM 22 C LIG 1 3.809 -0.826 -0.699 0.00 0.00 +0.094 A ATOM 23 C LIG 1 3.236 0.055 -1.625 0.00 0.00 +0.134 A ATOM 24 C LIG 1 1.855 0.291 -1.637 0.00 0.00 +0.050 A ATOM 25 C LIG 1 1.013 -0.384 -0.742 0.00 0.00 -0.037 A ATOM 26 C LIG 1 1.581 -1.277 0.175 0.00 0.00 +0.043 A ATOM 27 C LIG 1 2.960 -1.488 0.190 0.00 0.00 +0.138 A ATOM 28 F LIG 1 3.463 -2.329 1.108 0.00 0.00 -0.205 F BRANCH 22 30 ATOM 29 N LIG 1 6.116 -0.572 0.280 0.00 0.00 -0.330 N ATOM 30 C LIG 1 5.248 -1.071 -0.666 0.00 0.00 +0.148 A ATOM 31 N LIG 1 5.912 -1.790 -1.554 0.00 0.00 -0.223 NA ATOM 32 C LIG 1 7.247 -1.772 -1.172 0.00 0.00 +0.162 A ATOM 33 C LIG 1 7.377 -1.014 -0.023 0.00 0.00 +0.120 A BRANCH 32 34 ATOM 34 C LIG 1 8.312 -2.489 -1.948 0.00 0.00 +0.436 C ATOM 35 F LIG 1 8.189 -3.840 -1.868 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.301 -2.166 -3.269 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.560 -2.189 -1.491 0.00 0.00 -0.164 F ENDBRANCH 32 34 BRANCH 29 39 ATOM 38 C LIG 1 5.784 1.760 1.019 0.00 0.00 +0.027 C ATOM 39 C LIG 1 5.793 0.290 1.402 0.00 0.00 +0.120 C ENDBRANCH 29 39 ENDBRANCH 22 30 BRANCH 23 40 ATOM 40 O LIG 1 4.024 0.790 -2.474 0.00 0.00 -0.494 OA ATOM 41 C LIG 1 4.094 0.153 -3.752 0.00 0.00 +0.277 C ENDBRANCH 23 40 ENDBRANCH 1 25 TORSDOF 9