REMARK Name = BDB037779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.141 2.603 0.265 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.062 1.570 0.033 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.739 0.225 0.058 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.955 -0.489 -0.116 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.969 0.379 -0.270 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.659 -0.249 0.303 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.592 0.845 -0.277 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.409 1.611 -0.234 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.222 2.233 0.304 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.111 2.985 0.725 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.132 -1.958 -0.143 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.391 -2.502 0.102 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.589 -3.927 0.153 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.050 -4.205 0.352 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.761 -2.880 0.393 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.355 -4.673 -0.897 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.646 -1.800 0.461 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.171 -2.698 -0.365 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.588 -1.218 1.819 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.563 -0.760 2.887 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.264 2.738 -0.595 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.087 3.222 0.608 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.388 3.881 0.171 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.182 4.568 -1.058 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.990 3.678 -2.159 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.188 2.435 -1.785 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.017 0.605 -0.048 0.00 0.00 -0.303 N ATOM 28 H LIG 1 3.493 1.272 0.552 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 3.731 -0.300 -0.799 0.00 0.00 +0.221 C ATOM 30 O LIG 1 3.195 -0.988 -1.662 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 5.223 -0.335 -0.461 0.00 0.00 +0.112 C ATOM 32 C LIG 1 5.944 -1.605 -0.861 0.00 0.00 +0.006 A ATOM 33 C LIG 1 7.210 -1.544 -1.460 0.00 0.00 +0.124 A ATOM 34 C LIG 1 7.877 -2.712 -1.837 0.00 0.00 +0.046 A ATOM 35 C LIG 1 7.306 -3.958 -1.586 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.066 -4.036 -0.958 0.00 0.00 +0.001 A ATOM 37 O LIG 1 7.866 -0.374 -1.736 0.00 0.00 -0.492 OA ATOM 38 C LIG 1 7.391 0.752 -1.001 0.00 0.00 +0.230 C ATOM 39 C LIG 1 5.392 -2.869 -0.593 0.00 0.00 +0.008 A ATOM 40 C LIG 1 5.885 0.888 -1.101 0.00 0.00 +0.058 C ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 0.932 -0.493 1.783 0.00 0.00 -0.001 C ATOM 42 C LIG 1 0.538 -1.794 2.440 0.00 0.00 +0.004 C ATOM 43 C LIG 1 1.989 -1.477 2.223 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -0.697 3.884 2.305 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.463 3.925 0.801 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7