REMARK Name = BDB016770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.007 1.076 0.802 0.00 0.00 +0.102 A ATOM 2 C LIG 1 -1.052 0.139 1.030 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.147 0.911 1.394 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.397 0.369 1.714 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -3.570 -1.026 1.639 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.466 -1.814 1.275 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.705 2.203 1.351 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -2.234 3.043 1.555 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.216 -1.257 0.963 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -0.423 2.337 0.980 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.905 -1.649 1.976 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -6.147 -1.394 1.146 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -6.226 -0.530 -0.081 0.00 0.00 -0.008 A ATOM 14 C LIG 1 -7.468 0.130 -0.059 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -7.885 1.008 -1.039 0.00 0.00 +0.026 A ATOM 16 C LIG 1 -7.010 1.234 -2.102 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -5.771 0.578 -2.147 0.00 0.00 +0.124 A ATOM 18 F LIG 1 -4.954 0.809 -3.183 0.00 0.00 -0.205 F ATOM 19 N LIG 1 -8.180 -0.257 1.078 0.00 0.00 -0.284 N ATOM 20 H LIG 1 -9.106 0.054 1.327 0.00 0.00 +0.155 HD ATOM 21 C LIG 1 -5.369 -0.308 -1.148 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -7.472 -1.171 1.839 0.00 0.00 +0.228 C ATOM 23 O LIG 1 -7.825 -1.706 2.876 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 -5.496 -2.747 1.114 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 28 ATOM 25 C LIG 1 4.029 0.414 -0.404 0.00 0.00 +0.121 A ATOM 26 N LIG 1 3.323 1.447 -0.911 0.00 0.00 -0.240 NA ATOM 27 C LIG 1 2.044 1.633 -0.489 0.00 0.00 +0.123 A ATOM 28 C LIG 1 1.387 0.812 0.415 0.00 0.00 +0.021 A ATOM 29 C LIG 1 2.115 -0.256 0.928 0.00 0.00 +0.015 A ATOM 30 C LIG 1 3.434 -0.457 0.512 0.00 0.00 +0.044 A BRANCH 25 35 ATOM 31 C LIG 1 9.226 -0.359 -1.547 0.00 0.00 +0.105 C ATOM 32 N LIG 1 8.242 0.700 -1.343 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 7.651 0.652 0.009 0.00 0.00 +0.103 C ATOM 34 C LIG 1 6.352 -0.177 0.154 0.00 0.00 +0.122 C ATOM 35 N LIG 1 5.334 0.206 -0.840 0.00 0.00 -0.313 N ATOM 36 C LIG 1 5.796 1.099 -1.917 0.00 0.00 +0.122 C ATOM 37 C LIG 1 7.196 0.650 -2.392 0.00 0.00 +0.103 C ENDBRANCH 25 35 ENDBRANCH 1 28 TORSDOF 3