REMARK Name = BDB010415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.847 -0.985 0.866 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.462 -1.007 0.993 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.125 -1.672 2.055 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.484 -1.605 2.002 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.761 -0.915 0.920 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.560 -2.308 3.018 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 1.884 -2.219 2.846 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -0.605 -0.451 0.321 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.542 -1.605 1.839 0.00 0.00 -0.206 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.003 -0.624 0.443 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.457 -1.334 -0.779 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.990 -1.518 -0.833 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -5.154 -2.503 -1.984 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -3.982 -3.474 -1.829 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -5.573 -2.110 0.337 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -4.891 -1.786 1.559 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -2.942 -2.770 -0.951 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -4.062 -0.503 1.472 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 19 ATOM 19 C LIG 1 2.732 -2.874 3.864 0.00 0.00 +0.287 A ATOM 20 O LIG 1 2.072 -3.484 4.883 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 3.065 -3.994 5.658 0.00 0.00 +0.436 A ATOM 22 O LIG 1 2.918 -4.625 6.689 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 4.241 -3.655 5.050 0.00 0.00 -0.208 N ATOM 24 H LIG 1 5.165 -3.889 5.388 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 4.031 -2.944 3.912 0.00 0.00 -0.127 NA ENDBRANCH 7 19 BRANCH 1 26 ATOM 26 N LIG 1 2.496 -0.366 -0.199 0.00 0.00 -0.324 N ATOM 27 H LIG 1 2.038 -0.608 -1.069 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 4.581 0.581 0.672 0.00 0.00 +0.028 C ATOM 29 C LIG 1 3.959 -0.468 -0.259 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 4.492 -0.220 -1.680 0.00 0.00 +0.009 C ATOM 31 C LIG 1 3.966 0.987 -2.510 0.00 0.00 +0.005 C ATOM 32 C LIG 1 4.141 0.106 -3.764 0.00 0.00 +0.001 C ATOM 33 C LIG 1 3.993 -1.124 -2.843 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -0.530 0.550 -0.729 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.077 1.942 -0.242 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.094 2.546 0.749 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.996 4.066 0.789 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.370 4.686 -0.568 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.739 6.072 -0.706 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.998 3.777 -1.754 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.194 2.878 -1.438 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 7