REMARK Name = BDB038975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.827 1.150 -0.779 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.595 1.603 -0.344 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.635 0.611 0.128 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.217 1.114 0.232 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.879 2.461 -0.041 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.547 2.897 0.035 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.485 2.033 0.412 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.134 0.712 0.708 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.861 -0.393 1.100 0.00 0.00 -0.326 N ATOM 10 C LIG 1 0.014 -1.449 1.270 0.00 0.00 +0.116 A ATOM 11 N LIG 1 1.243 -1.077 0.967 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 2.956 3.427 -0.470 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.175 0.250 0.626 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.335 2.990 0.018 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.104 -0.032 -0.944 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.367 -2.835 1.709 0.00 0.00 +0.081 C ATOM 17 C LIG 1 0.607 -3.367 2.770 0.00 0.00 +0.171 C ATOM 18 O LIG 1 0.247 -4.694 3.174 0.00 0.00 -0.379 OA ATOM 19 C LIG 1 0.314 -5.618 2.086 0.00 0.00 +0.160 C ATOM 20 C LIG 1 -0.662 -5.226 0.984 0.00 0.00 +0.029 C ATOM 21 C LIG 1 -0.400 -3.798 0.512 0.00 0.00 +0.016 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.980 1.742 -1.496 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.705 2.165 -1.014 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.312 -0.428 1.259 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.012 -0.852 -0.048 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 -3.597 0.356 -0.770 0.00 0.00 -0.032 A ATOM 27 C LIG 1 -3.006 0.815 -1.958 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -3.541 1.912 -2.639 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -4.665 2.578 -2.139 0.00 0.00 -0.050 A ATOM 30 C LIG 1 -5.264 3.735 -2.887 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -5.258 2.121 -0.955 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -4.726 1.025 -0.272 0.00 0.00 +0.005 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 33 C LIG 1 -4.032 -1.958 0.211 0.00 0.00 +0.314 C ATOM 34 O LIG 1 -4.029 -2.678 1.202 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.920 -2.157 -0.790 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -4.836 -1.540 -1.544 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 25 33 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7