REMARK Name = BDB061349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.148 -0.253 -0.380 0.00 0.00 +0.070 A ATOM 2 C LIG 1 3.863 -0.072 -0.930 0.00 0.00 +0.145 A ATOM 3 F LIG 1 3.695 -0.214 -2.256 0.00 0.00 -0.204 F ATOM 4 C LIG 1 2.757 0.258 -0.148 0.00 0.00 +0.048 A ATOM 5 C LIG 1 2.949 0.399 1.216 0.00 0.00 +0.011 A ATOM 6 C LIG 1 1.958 0.771 2.282 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.595 0.145 2.163 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.321 -1.045 2.193 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.279 1.172 2.024 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.365 2.357 2.053 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.151 3.459 1.946 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.701 2.175 2.256 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.697 0.371 3.568 0.00 0.00 +0.067 C ATOM 14 C LIG 1 4.197 0.487 3.252 0.00 0.00 +0.040 C ATOM 15 C LIG 1 4.222 0.227 1.777 0.00 0.00 -0.038 A ATOM 16 C LIG 1 5.327 -0.089 0.996 0.00 0.00 +0.030 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 9.629 -1.385 -2.045 0.00 0.00 +0.129 C ATOM 18 N LIG 1 8.221 -1.086 -2.138 0.00 0.00 -0.302 N ATOM 19 H LIG 1 7.938 -0.503 -2.912 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 7.485 -0.913 -0.980 0.00 0.00 +0.304 C ATOM 21 N LIG 1 6.188 -0.572 -1.278 0.00 0.00 -0.267 N ATOM 22 H LIG 1 5.902 -0.694 -2.241 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 7.965 -1.067 0.135 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 9 24 ATOM 24 C LIG 1 -1.685 1.020 1.723 0.00 0.00 +0.215 C BRANCH 24 25 ATOM 25 C LIG 1 -1.864 0.954 0.200 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.168 0.940 -0.302 0.00 0.00 -0.293 N ATOM 27 C LIG 1 -3.346 0.828 -1.760 0.00 0.00 +0.080 C ATOM 28 C LIG 1 -3.707 -0.603 -2.190 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -5.018 -1.158 -1.628 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.938 -1.591 -0.183 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -4.647 -0.673 0.849 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -4.648 -1.116 2.185 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -4.908 -2.451 2.494 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -5.179 -3.346 1.472 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -5.435 -4.627 1.766 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.201 -2.931 0.146 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -4.356 0.777 0.541 0.00 0.00 +0.143 C ATOM 38 O LIG 1 -0.876 0.922 -0.541 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -4.247 1.939 -2.273 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -4.075 2.408 -3.703 0.00 0.00 +0.006 C ATOM 41 C LIG 1 -5.363 1.770 -3.284 0.00 0.00 +0.006 C ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 4