REMARK Name = BDB017348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.542 0.650 0.460 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.002 -0.270 -0.436 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -0.387 -0.404 -0.568 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.266 0.372 0.193 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.718 1.306 1.078 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.669 1.443 1.213 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 3.879 -0.802 -0.711 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.954 0.139 0.065 0.00 0.00 +0.249 C ATOM 9 N LIG 1 2.925 0.846 0.653 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.178 1.548 1.338 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.310 0.598 0.456 0.00 0.00 +0.049 A ATOM 12 C LIG 1 6.267 -0.316 0.935 0.00 0.00 +0.070 A ATOM 13 C LIG 1 7.552 0.166 1.246 0.00 0.00 +0.051 A ATOM 14 C LIG 1 7.857 1.515 1.089 0.00 0.00 +0.124 A ATOM 15 F LIG 1 9.084 1.952 1.396 0.00 0.00 -0.205 F ATOM 16 C LIG 1 6.909 2.414 0.616 0.00 0.00 +0.039 A ATOM 17 C LIG 1 5.632 1.957 0.293 0.00 0.00 +0.016 A BRANCH 12 18 ATOM 18 C LIG 1 5.950 -1.779 1.122 0.00 0.00 +0.418 C ATOM 19 F LIG 1 5.981 -2.493 -0.032 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.741 -1.998 1.705 0.00 0.00 -0.166 F ATOM 21 F LIG 1 6.850 -2.393 1.948 0.00 0.00 -0.166 F ENDBRANCH 12 18 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 22 ATOM 22 N LIG 1 -2.663 0.250 0.081 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -3.176 0.961 0.596 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.465 -0.896 -0.131 0.00 0.00 +0.044 A ATOM 25 C LIG 1 -4.762 -0.799 -0.663 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -5.527 -1.981 -0.778 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -6.850 -1.954 -1.252 0.00 0.00 -0.305 N ATOM 28 H LIG 1 -7.335 -2.838 -1.288 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -7.539 -0.829 -1.661 0.00 0.00 +0.278 A ATOM 30 C LIG 1 -6.751 0.404 -1.602 0.00 0.00 +0.157 A ATOM 31 N LIG 1 -7.142 1.625 -1.994 0.00 0.00 -0.168 NA ATOM 32 N LIG 1 -6.047 2.383 -1.814 0.00 0.00 -0.283 N ATOM 33 H LIG 1 -6.095 3.362 -2.078 0.00 0.00 +0.188 HD ATOM 34 C LIG 1 -4.978 1.697 -1.303 0.00 0.00 +0.114 A ATOM 35 O LIG 1 -8.705 -0.902 -2.041 0.00 0.00 -0.265 OA ATOM 36 N LIG 1 -5.079 -3.205 -0.439 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 -3.821 -3.274 0.038 0.00 0.00 +0.115 A ATOM 38 C LIG 1 -5.417 0.410 -1.123 0.00 0.00 +0.037 A ATOM 39 C LIG 1 -2.997 -2.173 0.208 0.00 0.00 +0.043 A ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 5