REMARK Name = BDB014183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.446 -0.104 0.064 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.251 0.409 -1.215 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.209 0.021 -1.963 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.137 1.346 -1.738 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.243 1.752 -0.988 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.483 1.209 0.285 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.566 0.285 0.810 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 3.675 -0.540 0.968 0.00 0.00 -0.312 N ATOM 9 C LIG 1 3.121 -1.901 0.776 0.00 0.00 +0.125 C ATOM 10 C LIG 1 1.658 -1.956 1.255 0.00 0.00 +0.127 C ATOM 11 N LIG 1 0.825 -0.901 0.669 0.00 0.00 -0.294 N ATOM 12 C LIG 1 -0.548 -1.131 0.624 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -1.075 -2.162 1.041 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.416 0.447 0.741 0.00 0.00 +0.127 C ATOM 15 C LIG 1 2.873 0.477 0.247 0.00 0.00 +0.125 C BRANCH 8 23 ATOM 16 C LIG 1 9.726 1.212 -2.486 0.00 0.00 +0.086 C ATOM 17 C LIG 1 8.644 0.707 -1.611 0.00 0.00 +0.107 A ATOM 18 N LIG 1 8.892 -0.118 -0.539 0.00 0.00 -0.341 N ATOM 19 H LIG 1 9.800 -0.450 -0.247 0.00 0.00 +0.167 HD ATOM 20 C LIG 1 7.697 -0.406 0.061 0.00 0.00 +0.085 A ATOM 21 C LIG 1 6.759 0.279 -0.696 0.00 0.00 +0.180 A ATOM 22 N LIG 1 5.437 0.263 -0.436 0.00 0.00 -0.211 NA ATOM 23 C LIG 1 5.050 -0.480 0.619 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.964 -1.180 1.427 0.00 0.00 +0.046 A ATOM 25 C LIG 1 7.335 -1.165 1.162 0.00 0.00 +0.033 A ATOM 26 N LIG 1 7.356 0.960 -1.723 0.00 0.00 -0.213 NA ENDBRANCH 8 23 ENDBRANCH 1 12 BRANCH 6 27 ATOM 27 C LIG 1 -4.688 1.630 1.096 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -5.999 1.537 0.327 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -6.645 0.216 0.109 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -7.836 0.203 -0.614 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -8.507 -1.000 -0.867 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -7.979 -2.199 -0.393 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.788 -2.194 0.332 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.388 1.473 -1.113 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -9.434 1.510 -1.752 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.665 2.603 -0.820 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -8.033 3.488 -1.155 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -6.121 -0.991 0.586 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -6.500 2.651 -0.122 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 4