REMARK Name = BDB053620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.354 -0.985 -1.998 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.390 -0.011 -2.276 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.913 -0.150 -1.791 0.00 0.00 +0.162 A ATOM 4 C LIG 1 -1.298 -1.294 -1.076 0.00 0.00 +0.162 A ATOM 5 C LIG 1 -0.339 -2.275 -0.815 0.00 0.00 +0.050 A ATOM 6 C LIG 1 0.979 -2.115 -1.261 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.784 -0.798 -2.445 0.00 0.00 +0.050 C BRANCH 7 8 ATOM 8 C LIG 1 3.666 -0.126 -1.372 0.00 0.00 +0.102 C BRANCH 8 9 ATOM 9 C LIG 1 3.204 1.304 -1.140 0.00 0.00 +0.308 C ATOM 10 O LIG 1 2.700 1.688 -0.093 0.00 0.00 -0.251 OA BRANCH 9 11 ATOM 11 O LIG 1 3.376 2.140 -2.187 0.00 0.00 -0.480 OA ATOM 12 H LIG 1 3.781 1.742 -2.978 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 C LIG 1 5.157 -0.220 -1.753 0.00 0.00 +0.015 C BRANCH 13 14 ATOM 14 C LIG 1 6.138 0.014 -0.595 0.00 0.00 +0.001 C BRANCH 14 16 ATOM 15 C LIG 1 7.416 1.654 0.826 0.00 0.00 +0.004 C ATOM 16 C LIG 1 6.284 1.476 -0.176 0.00 0.00 -0.003 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 O LIG 1 -1.852 0.820 -2.049 0.00 0.00 -0.488 OA BRANCH 17 18 ATOM 18 C LIG 1 -1.553 2.061 -1.389 0.00 0.00 +0.234 C BRANCH 18 19 ATOM 19 C LIG 1 -1.902 2.008 0.102 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 -1.676 3.336 0.778 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -0.384 3.723 1.159 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -0.167 4.961 1.764 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.238 5.823 1.994 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.527 5.448 1.616 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.746 4.211 1.008 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 4 26 ATOM 26 O LIG 1 -2.605 -1.339 -0.670 0.00 0.00 -0.488 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.022 -2.468 0.096 0.00 0.00 +0.234 C BRANCH 27 28 ATOM 28 C LIG 1 -4.498 -2.280 0.444 0.00 0.00 +0.076 C BRANCH 28 29 ATOM 29 C LIG 1 -5.040 -3.432 1.249 0.00 0.00 -0.044 A ATOM 30 C LIG 1 -4.963 -3.420 2.648 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.445 -4.499 3.391 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.004 -5.599 2.743 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.082 -5.622 1.352 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.600 -4.544 0.607 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 15