REMARK Name = BDB059950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.811 -0.991 -0.324 0.00 0.00 +0.220 C ATOM 2 N LIG 1 1.446 -0.964 -0.606 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.606 0.263 -0.475 0.00 0.00 +0.124 C ATOM 4 C LIG 1 -0.602 -0.090 0.399 0.00 0.00 -0.019 A ATOM 5 C LIG 1 -1.351 -1.228 0.000 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.515 -1.608 0.685 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -2.907 -0.869 1.801 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.142 0.217 2.235 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.800 -2.012 -1.173 0.00 0.00 +0.058 C ATOM 10 C LIG 1 -0.993 0.601 1.545 0.00 0.00 +0.006 A ATOM 11 C LIG 1 0.715 -2.189 -0.979 0.00 0.00 +0.113 C ATOM 12 O LIG 1 3.420 0.017 0.065 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.060 -2.395 0.024 0.00 0.00 +0.109 C ATOM 14 C LIG 1 3.605 -2.281 -0.581 0.00 0.00 +0.089 C ATOM 15 C LIG 1 3.317 -3.612 0.158 0.00 0.00 +0.014 C ATOM 16 C LIG 1 4.814 -3.936 -0.009 0.00 0.00 +0.016 C BRANCH 13 18 ATOM 17 O LIG 1 5.857 -2.515 2.369 0.00 0.00 -0.251 OA ATOM 18 C LIG 1 5.426 -1.837 1.439 0.00 0.00 +0.309 C BRANCH 18 19 ATOM 19 O LIG 1 5.290 -0.496 1.601 0.00 0.00 -0.480 OA ATOM 20 H LIG 1 4.770 -0.062 0.882 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 14 BRANCH 3 21 ATOM 21 C LIG 1 1.311 1.620 -0.185 0.00 0.00 +0.144 C BRANCH 21 22 ATOM 22 N LIG 1 0.474 2.791 -0.449 0.00 0.00 -0.232 N ATOM 23 C LIG 1 0.027 3.138 -1.696 0.00 0.00 +0.254 C ATOM 24 O LIG 1 0.179 2.557 -2.754 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 -0.685 4.404 -1.550 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -0.591 4.783 -0.224 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -1.156 5.953 0.244 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -1.838 6.748 -0.683 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -1.933 6.362 -2.036 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -1.349 5.173 -2.485 0.00 0.00 +0.014 A ATOM 31 C LIG 1 0.179 3.757 0.474 0.00 0.00 +0.254 C ATOM 32 O LIG 1 0.475 3.816 1.652 0.00 0.00 -0.270 OA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 6 33 ATOM 33 O LIG 1 -3.168 -2.700 0.186 0.00 0.00 -0.489 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.365 -3.161 0.819 0.00 0.00 +0.256 C BRANCH 34 35 ATOM 35 C LIG 1 -5.593 -2.397 0.322 0.00 0.00 +0.196 C BRANCH 35 36 ATOM 36 O LIG 1 -5.904 -2.782 -1.016 0.00 0.00 -0.392 OA ATOM 37 H LIG 1 -6.597 -2.179 -1.334 0.00 0.00 +0.210 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9