REMARK Name = BDB041167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.757 0.808 -0.664 0.00 0.00 +0.131 C ATOM 2 N LIG 1 0.828 -0.515 -0.038 0.00 0.00 -0.312 N ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 2.138 -1.052 -0.033 0.00 0.00 +0.161 A ATOM 4 C LIG 1 2.453 -2.143 0.774 0.00 0.00 +0.181 A ATOM 5 F LIG 1 1.550 -2.733 1.571 0.00 0.00 -0.200 F ATOM 6 C LIG 1 3.751 -2.594 0.752 0.00 0.00 +0.155 A ATOM 7 N LIG 1 4.718 -2.038 0.000 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 4.340 -0.988 -0.752 0.00 0.00 +0.169 A ATOM 9 N LIG 1 3.095 -0.467 -0.787 0.00 0.00 -0.209 NA BRANCH 8 10 ATOM 10 C LIG 1 5.357 -0.331 -1.554 0.00 0.00 +0.102 A ATOM 11 C LIG 1 5.772 0.977 -1.303 0.00 0.00 +0.062 A ATOM 12 N LIG 1 6.716 1.582 -2.073 0.00 0.00 -0.239 NA ATOM 13 C LIG 1 7.243 0.871 -3.076 0.00 0.00 +0.225 A ATOM 14 N LIG 1 6.922 -0.382 -3.399 0.00 0.00 -0.201 NA ATOM 15 C LIG 1 5.980 -0.958 -2.624 0.00 0.00 +0.229 A BRANCH 11 16 ATOM 16 C LIG 1 5.196 1.803 -0.164 0.00 0.00 +0.039 C ATOM 17 C LIG 1 5.520 1.446 1.270 0.00 0.00 +0.010 C ATOM 18 C LIG 1 6.097 2.689 0.666 0.00 0.00 +0.010 C ENDBRANCH 11 16 BRANCH 15 19 ATOM 19 O LIG 1 5.571 -2.243 -2.939 0.00 0.00 -0.479 OA ATOM 20 C LIG 1 6.321 -2.843 -3.990 0.00 0.00 +0.279 C ENDBRANCH 15 19 ENDBRANCH 8 10 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 C LIG 1 -0.174 -1.480 -0.522 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 C LIG 1 -1.554 -1.130 -0.004 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -2.603 -0.842 -0.887 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.877 -0.534 -0.399 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -4.124 -0.502 0.979 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -3.082 -0.814 1.860 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -1.808 -1.119 1.375 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -5.446 -0.184 1.516 0.00 0.00 +0.142 A ATOM 29 N LIG 1 -6.157 0.970 1.270 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -7.311 0.944 1.994 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -7.294 -0.262 2.673 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -6.117 -0.939 2.371 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 -8.319 -0.819 3.617 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -7.819 -1.023 4.863 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -9.381 0.023 3.761 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -8.827 -2.005 3.189 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 -5.692 2.131 0.476 0.00 0.00 +0.089 C ATOM 38 C LIG 1 -5.928 2.223 -1.014 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -6.618 3.183 -0.095 0.00 0.00 +0.027 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9