REMARK Name = BDB004876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.386 -0.973 0.954 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.274 -1.487 0.268 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.914 -1.843 0.940 0.00 0.00 -0.026 A ATOM 4 C LIG 1 0.965 -1.662 2.326 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.132 -1.147 3.016 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.302 -0.805 2.334 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.750 -0.183 0.625 0.00 0.00 +0.266 C ATOM 8 N LIG 1 -2.525 -0.652 0.181 0.00 0.00 -0.280 N ATOM 9 H LIG 1 -2.437 -0.828 -0.807 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -4.038 -0.009 1.803 0.00 0.00 -0.268 OA BRANCH 7 12 ATOM 11 N LIG 1 -6.049 0.335 -0.253 0.00 0.00 -0.259 N ATOM 12 C LIG 1 -4.707 0.077 -0.443 0.00 0.00 +0.124 A ATOM 13 C LIG 1 -4.538 0.146 -1.818 0.00 0.00 +0.066 A ATOM 14 C LIG 1 -5.814 0.417 -2.375 0.00 0.00 +0.166 A ATOM 15 N LIG 1 -6.734 0.516 -1.402 0.00 0.00 -0.167 NA BRANCH 14 16 ATOM 16 C LIG 1 -6.146 0.580 -3.836 0.00 0.00 +0.436 C ATOM 17 F LIG 1 -5.040 0.404 -4.616 0.00 0.00 -0.164 F ATOM 18 F LIG 1 -6.626 1.816 -4.130 0.00 0.00 -0.164 F ATOM 19 F LIG 1 -7.063 -0.324 -4.269 0.00 0.00 -0.164 F ENDBRANCH 14 16 BRANCH 11 21 ATOM 20 C LIG 1 -7.177 -0.954 1.529 0.00 0.00 +0.029 C ATOM 21 C LIG 1 -6.790 0.414 0.996 0.00 0.00 +0.141 C ENDBRANCH 11 21 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 2.085 -2.398 0.142 0.00 0.00 +0.099 C ATOM 23 C LIG 1 3.051 -3.338 0.870 0.00 0.00 +0.033 C BRANCH 22 24 ATOM 24 N LIG 1 2.774 -1.355 -0.632 0.00 0.00 -0.322 N ATOM 25 H LIG 1 2.109 -0.859 -1.218 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.581 -0.389 -0.001 0.00 0.00 +0.130 A ATOM 27 C LIG 1 4.250 0.571 -0.794 0.00 0.00 +0.041 A ATOM 28 C LIG 1 5.016 1.537 -0.112 0.00 0.00 +0.088 A ATOM 29 C LIG 1 5.678 2.513 -0.888 0.00 0.00 +0.063 A ATOM 30 C LIG 1 5.589 2.517 -2.294 0.00 0.00 +0.015 A ATOM 31 C LIG 1 4.849 1.552 -2.956 0.00 0.00 +0.002 A ATOM 32 N LIG 1 5.105 1.510 1.235 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 4.457 0.537 1.885 0.00 0.00 +0.223 A ATOM 34 C LIG 1 4.187 0.586 -2.211 0.00 0.00 +0.013 A ATOM 35 N LIG 1 3.709 -0.413 1.331 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 6.515 3.604 -0.295 0.00 0.00 +0.244 C ATOM 37 O LIG 1 7.091 4.426 -1.001 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 6.630 3.674 1.060 0.00 0.00 -0.325 N ATOM 39 H LIG 1 6.178 2.988 1.658 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 7.206 4.396 1.468 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 8