REMARK Name = BDB036147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.432 -2.098 0.401 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.036 -2.275 0.110 0.00 0.00 +0.115 C ATOM 3 C LIG 1 0.097 -0.733 0.118 0.00 0.00 +0.004 C ATOM 4 C LIG 1 0.586 -0.137 1.450 0.00 0.00 +0.025 C ATOM 5 C LIG 1 2.079 0.223 1.389 0.00 0.00 +0.085 C ATOM 6 N LIG 1 2.798 -0.662 0.484 0.00 0.00 -0.302 NA ATOM 7 C LIG 1 2.367 -0.555 -0.913 0.00 0.00 +0.085 C ATOM 8 C LIG 1 0.888 -0.168 -1.059 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -1.438 -0.738 -0.064 0.00 0.00 +0.115 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.772 -2.767 0.153 0.00 0.00 +0.186 A ATOM 11 C LIG 1 -2.417 -3.078 0.164 0.00 0.00 +0.167 A ATOM 12 N LIG 1 -2.001 -4.354 -0.004 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -2.940 -5.288 -0.221 0.00 0.00 +0.223 A ATOM 14 N LIG 1 -4.263 -5.082 -0.282 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -4.648 -3.806 -0.094 0.00 0.00 +0.162 A BRANCH 10 16 ATOM 16 O LIG 1 -4.251 -1.500 0.314 0.00 0.00 -0.450 OA BRANCH 16 18 ATOM 17 C LIG 1 -5.271 0.163 1.657 0.00 0.00 +0.082 A ATOM 18 C LIG 1 -4.670 -1.105 1.568 0.00 0.00 +0.141 A ATOM 19 C LIG 1 -4.525 -1.865 2.736 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -4.987 -1.365 3.959 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -5.580 -0.106 4.018 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -6.018 0.364 5.194 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -5.719 0.672 2.879 0.00 0.00 +0.055 A BRANCH 17 25 ATOM 24 N LIG 1 -6.576 1.119 -0.216 0.00 0.00 -0.295 N ATOM 25 C LIG 1 -5.360 1.029 0.469 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -4.341 1.645 0.170 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -6.666 1.968 -1.421 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -5.733 1.504 -2.543 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -6.466 3.450 -1.100 0.00 0.00 +0.028 C ENDBRANCH 24 27 BRANCH 24 31 ATOM 30 C LIG 1 -7.884 -0.915 -0.771 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -7.761 0.317 0.112 0.00 0.00 +0.105 C ENDBRANCH 24 31 ENDBRANCH 17 25 ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 11 BRANCH 6 32 ATOM 32 C LIG 1 4.246 -0.736 0.674 0.00 0.00 +0.088 C BRANCH 32 33 ATOM 33 C LIG 1 5.043 0.572 0.905 0.00 0.00 +0.006 C ATOM 34 C LIG 1 5.008 1.607 -0.247 0.00 0.00 -0.006 C ATOM 35 C LIG 1 5.782 1.086 -1.476 0.00 0.00 +0.015 C ATOM 36 C LIG 1 7.272 0.817 -1.107 0.00 0.00 +0.018 C ATOM 37 C LIG 1 7.477 1.119 0.400 0.00 0.00 -0.001 C ATOM 38 C LIG 1 7.137 2.593 0.684 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.211 1.616 -2.012 0.00 0.00 +0.131 C ATOM 40 C LIG 1 8.337 0.728 -3.214 0.00 0.00 +0.308 C ATOM 41 O LIG 1 8.726 1.075 -4.317 0.00 0.00 -0.251 OA ATOM 42 O LIG 1 7.989 -0.549 -2.888 0.00 0.00 -0.464 OA ATOM 43 C LIG 1 7.683 -0.603 -1.493 0.00 0.00 +0.239 C ATOM 44 C LIG 1 5.702 2.896 0.241 0.00 0.00 +0.004 C ATOM 45 C LIG 1 6.522 0.242 1.236 0.00 0.00 +0.009 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8