REMARK Name = BDB034192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.472 -0.463 -0.084 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.236 -0.870 -1.389 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.001 -1.410 -2.163 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.837 -0.543 -1.689 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.254 -0.031 -0.532 0.00 0.00 -0.015 A ATOM 6 C LIG 1 0.923 0.353 -0.528 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.200 0.229 -1.720 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.797 -0.318 -2.873 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.138 -0.706 -2.868 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.249 -0.029 0.579 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.109 -2.869 1.669 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.104 -2.267 1.300 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.868 -2.861 1.345 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.849 -3.819 1.667 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.642 -2.279 1.119 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.607 -2.897 1.366 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.666 -0.807 0.681 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.974 -0.481 -0.040 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.146 -0.820 0.866 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -1.128 0.541 -1.831 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.513 1.837 -1.330 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -3.034 1.774 -0.960 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -3.730 3.130 -1.236 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -2.807 4.317 -0.992 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -1.610 4.293 -1.943 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -1.246 2.887 -2.415 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.183 1.412 0.474 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.591 1.036 0.796 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -4.024 -0.115 1.666 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -2.807 -0.014 0.711 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -4.832 -1.480 1.773 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -5.170 -2.030 3.029 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -5.880 -3.227 3.151 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -6.271 -3.906 2.008 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -6.952 -5.054 2.119 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.964 -3.409 0.751 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -5.253 -2.210 0.640 0.00 0.00 +0.007 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5