REMARK Name = BDB045276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.570 1.179 0.512 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.382 0.209 0.864 0.00 0.00 -0.295 N ATOM 3 O LIG 1 0.398 2.021 -0.368 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 4.266 1.018 1.183 0.00 0.00 +0.163 A ATOM 5 C LIG 1 4.313 1.387 2.547 0.00 0.00 +0.162 A ATOM 6 C LIG 1 3.127 1.691 3.227 0.00 0.00 +0.050 A ATOM 7 C LIG 1 1.900 1.620 2.567 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.859 1.227 1.228 0.00 0.00 +0.041 A ATOM 9 C LIG 1 3.035 0.950 0.526 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 5.563 1.422 3.116 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 5.660 1.839 4.470 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 5.475 0.746 0.592 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 5.481 0.440 -0.802 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 6.933 0.223 -1.219 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 7.069 -0.044 -2.713 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 6.839 -2.407 -2.837 0.00 0.00 +0.193 C ATOM 17 O LIG 1 6.270 -1.142 -3.148 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 -0.055 -0.983 1.691 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -1.258 -1.602 2.407 0.00 0.00 +0.028 C ATOM 20 C LIG 1 0.698 -2.052 0.891 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 -1.679 0.288 0.169 0.00 0.00 +0.114 C BRANCH 21 22 ATOM 22 C LIG 1 -1.819 -0.623 -1.050 0.00 0.00 +0.038 C ATOM 23 C LIG 1 -3.145 -0.444 -1.795 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -2.832 -1.134 -3.138 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -1.380 -1.036 -3.342 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -1.167 -0.505 -4.186 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -0.826 -0.340 -2.170 0.00 0.00 +0.087 C BRANCH 23 28 ATOM 28 N LIG 1 -4.282 -1.022 -1.071 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 -4.796 -1.665 -1.674 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.208 -0.019 -0.533 0.00 0.00 +0.054 C ATOM 31 C LIG 1 -6.050 -0.687 0.571 0.00 0.00 +0.019 C ATOM 32 C LIG 1 -7.351 0.060 0.887 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -7.303 1.520 0.462 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -7.034 1.667 -1.036 0.00 0.00 +0.002 C ATOM 35 C LIG 1 -6.128 0.571 -1.609 0.00 0.00 +0.019 C ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 12