REMARK Name = BDB020709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.431 -1.392 -1.293 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.561 -0.393 -1.710 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.126 0.599 -2.759 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.801 -0.439 -1.144 0.00 0.00 +0.044 A ATOM 5 N LIG 1 2.103 -1.535 -0.283 0.00 0.00 -0.318 N ATOM 6 C LIG 1 1.218 -2.596 -0.039 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.880 -3.568 0.690 0.00 0.00 +0.025 A ATOM 8 C LIG 1 3.132 -3.019 1.058 0.00 0.00 +0.030 A ATOM 9 C LIG 1 3.249 -1.797 0.441 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.112 -2.436 -0.508 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.396 -4.993 1.112 0.00 0.00 +0.070 A ATOM 12 N LIG 1 0.409 -5.804 0.611 0.00 0.00 -0.333 N ATOM 13 C LIG 1 -0.321 -5.688 -0.626 0.00 0.00 +0.150 C ATOM 14 C LIG 1 0.375 -6.939 1.382 0.00 0.00 +0.199 A ATOM 15 N LIG 1 1.310 -6.933 2.301 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 1.968 -5.745 2.123 0.00 0.00 +0.139 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 -2.483 -0.174 -1.132 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -1.893 0.546 -0.729 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -1.881 -1.300 -1.632 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -2.453 -2.176 -2.269 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -3.805 0.227 -1.553 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 -6.072 3.914 2.329 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -5.539 2.889 1.377 0.00 0.00 +0.016 A ATOM 24 N LIG 1 -4.503 3.270 0.561 0.00 0.00 -0.326 N ATOM 25 H LIG 1 -4.122 4.206 0.630 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 -3.891 2.448 -0.350 0.00 0.00 +0.254 A ATOM 27 O LIG 1 -2.927 2.828 -1.010 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 -4.438 1.056 -0.477 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.452 0.686 0.337 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -6.090 -0.676 0.364 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -6.010 1.637 1.289 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 2.874 0.626 -1.430 0.00 0.00 +0.101 C ATOM 33 C LIG 1 3.949 0.008 -2.348 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 3.410 1.269 -0.208 0.00 0.00 -0.292 NA ATOM 35 C LIG 1 2.380 1.985 0.579 0.00 0.00 +0.100 C ATOM 36 C LIG 1 2.481 3.526 0.520 0.00 0.00 +0.108 C ATOM 37 N LIG 1 3.793 4.074 0.892 0.00 0.00 -0.212 NA ATOM 38 C LIG 1 4.869 3.087 0.710 0.00 0.00 +0.108 C ATOM 39 C LIG 1 4.585 2.125 -0.462 0.00 0.00 +0.100 C BRANCH 37 40 ATOM 40 C LIG 1 3.787 4.525 2.265 0.00 0.00 +0.462 C ATOM 41 F LIG 1 3.438 3.535 3.115 0.00 0.00 -0.155 F ATOM 42 F LIG 1 5.007 4.979 2.629 0.00 0.00 -0.155 F ATOM 43 F LIG 1 2.910 5.540 2.429 0.00 0.00 -0.155 F ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7