REMARK Name = BDB051400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.322 -0.374 -1.100 0.00 0.00 +0.018 C ATOM 2 C LIG 1 2.920 0.317 -0.909 0.00 0.00 +0.006 C ATOM 3 C LIG 1 3.338 1.818 -1.022 0.00 0.00 -0.028 C ATOM 4 C LIG 1 2.332 2.820 -0.453 0.00 0.00 +0.007 C ATOM 5 C LIG 1 1.738 2.434 0.888 0.00 0.00 +0.008 C ATOM 6 C LIG 1 1.148 1.001 1.010 0.00 0.00 -0.023 C ATOM 7 C LIG 1 -0.360 0.846 0.386 0.00 0.00 -0.023 C ATOM 8 C LIG 1 -0.842 -0.651 0.493 0.00 0.00 +0.002 C ATOM 9 C LIG 1 -2.398 -1.007 0.231 0.00 0.00 -0.015 C ATOM 10 C LIG 1 -3.387 0.148 0.801 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -2.795 1.565 0.632 0.00 0.00 +0.006 C ATOM 12 C LIG 1 -2.666 -1.297 -1.256 0.00 0.00 +0.012 C ATOM 13 C LIG 1 0.182 -1.510 -0.280 0.00 0.00 +0.005 C ATOM 14 C LIG 1 1.544 -1.454 0.402 0.00 0.00 +0.005 C ATOM 15 C LIG 1 -0.401 1.341 -1.082 0.00 0.00 +0.012 C ATOM 16 C LIG 1 -1.381 1.692 1.176 0.00 0.00 +0.008 C ATOM 17 C LIG 1 1.101 0.764 2.564 0.00 0.00 +0.012 C ATOM 18 C LIG 1 3.560 2.225 -2.504 0.00 0.00 +0.011 C ATOM 19 C LIG 1 4.694 1.894 -0.275 0.00 0.00 +0.007 C ATOM 20 C LIG 1 2.186 -0.050 0.434 0.00 0.00 -0.000 C ATOM 21 C LIG 1 5.252 0.472 -0.218 0.00 0.00 +0.008 C ENDROOT BRANCH 1 23 ATOM 22 C LIG 1 5.040 -2.540 0.013 0.00 0.00 +0.007 C ATOM 23 C LIG 1 4.446 -1.881 -0.997 0.00 0.00 -0.076 C ATOM 24 C LIG 1 3.889 -2.647 -2.174 0.00 0.00 +0.039 C ENDBRANCH 1 23 BRANCH 10 25 ATOM 25 C LIG 1 -4.951 0.168 0.421 0.00 0.00 +0.065 C ATOM 26 C LIG 1 -5.717 1.149 1.360 0.00 0.00 +0.023 C ATOM 27 C LIG 1 -5.676 -1.178 0.630 0.00 0.00 +0.023 C BRANCH 25 28 ATOM 28 C LIG 1 -5.212 0.594 -1.029 0.00 0.00 +0.311 C ATOM 29 O LIG 1 -5.423 -0.150 -1.975 0.00 0.00 -0.250 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.194 1.923 -1.232 0.00 0.00 -0.480 OA ATOM 31 H LIG 1 -5.378 2.023 -2.190 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 10 25 BRANCH 9 32 ATOM 32 C LIG 1 -2.726 -2.311 1.068 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 -1.884 -3.554 0.891 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -1.002 -3.892 1.666 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.213 -4.287 -0.195 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -2.954 -3.926 -0.716 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 9 32 TORSDOF 7