REMARK Name = BDB009462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.040 1.911 1.321 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.412 1.686 2.643 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.504 1.394 3.579 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.750 1.756 3.018 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.724 2.067 2.066 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.362 2.325 0.735 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.009 2.248 0.369 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 4.774 -3.233 -1.114 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 4.870 -2.015 -0.940 0.00 0.00 +0.266 C ATOM 10 N LIG 1 3.743 -1.179 -0.894 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.782 0.278 -0.716 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.516 0.681 0.740 0.00 0.00 +0.127 C ATOM 13 N LIG 1 2.079 0.651 1.050 0.00 0.00 -0.296 N ATOM 14 C LIG 1 1.372 1.849 0.908 0.00 0.00 +0.249 C ATOM 15 O LIG 1 1.858 2.868 0.417 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.431 -0.634 1.340 0.00 0.00 +0.109 C ATOM 17 C LIG 1 2.098 -1.898 0.791 0.00 0.00 +0.038 C ATOM 18 C LIG 1 2.439 -1.810 -0.697 0.00 0.00 +0.110 C BRANCH 9 19 ATOM 19 C LIG 1 6.246 -1.467 -0.780 0.00 0.00 +0.144 A ATOM 20 N LIG 1 6.458 -0.448 0.099 0.00 0.00 -0.247 NA ATOM 21 C LIG 1 7.747 -0.047 0.217 0.00 0.00 +0.131 A ATOM 22 C LIG 1 8.780 -0.633 -0.497 0.00 0.00 +0.130 A ATOM 23 N LIG 1 8.578 -1.654 -1.360 0.00 0.00 -0.259 NA ATOM 24 C LIG 1 7.287 -2.064 -1.478 0.00 0.00 +0.143 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.410 2.649 -0.306 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -3.772 1.431 -1.147 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -4.863 0.505 -0.676 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -5.641 0.786 0.444 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -5.774 1.778 0.621 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -6.836 -0.006 0.729 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.555 -1.476 0.428 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.050 -1.656 -1.009 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.032 -0.618 -1.393 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -4.233 -0.859 -2.616 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -4.380 -1.870 -3.295 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -3.340 0.123 -2.954 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -2.780 -0.027 -3.787 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -3.073 1.242 -2.229 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4