REMARK Name = BDB063556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.936 0.007 -0.871 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.126 0.273 0.116 0.00 0.00 -0.018 A ATOM 3 C LIG 1 1.387 1.361 -0.369 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.033 1.224 -0.686 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -0.616 -0.001 -0.524 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.104 -1.094 -0.049 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.462 -0.955 0.270 0.00 0.00 +0.012 A BRANCH 2 11 ATOM 8 C LIG 1 6.301 0.681 1.088 0.00 0.00 -0.037 A ATOM 9 C LIG 1 5.394 0.190 2.035 0.00 0.00 +0.005 A ATOM 10 C LIG 1 4.038 0.059 1.717 0.00 0.00 +0.009 A ATOM 11 C LIG 1 3.553 0.411 0.449 0.00 0.00 -0.018 A ATOM 12 C LIG 1 4.471 0.895 -0.496 0.00 0.00 +0.009 A ATOM 13 C LIG 1 5.828 1.026 -0.183 0.00 0.00 +0.005 A BRANCH 8 14 ATOM 14 C LIG 1 7.766 0.811 1.425 0.00 0.00 +0.155 C BRANCH 14 16 ATOM 15 O LIG 1 8.145 -1.576 0.963 0.00 0.00 -0.251 OA ATOM 16 C LIG 1 8.555 -0.462 1.238 0.00 0.00 +0.309 C BRANCH 16 17 ATOM 17 O LIG 1 9.877 -0.263 1.435 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 10.268 -1.151 1.289 0.00 0.00 +0.295 HD ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 8 14 ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -2.699 -1.166 -0.589 0.00 0.00 +0.270 C BRANCH 19 20 ATOM 20 C LIG 1 -4.139 -0.912 -0.853 0.00 0.00 +0.060 A ATOM 21 C LIG 1 -4.967 -1.489 -1.790 0.00 0.00 +0.147 A ATOM 22 O LIG 1 -6.217 -0.972 -1.673 0.00 0.00 -0.358 OA ATOM 23 N LIG 1 -6.238 -0.032 -0.662 0.00 0.00 -0.078 NA ATOM 24 C LIG 1 -4.989 0.015 -0.179 0.00 0.00 +0.123 A BRANCH 24 25 ATOM 25 C LIG 1 -4.639 0.921 0.905 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -4.277 2.253 0.639 0.00 0.00 +0.052 A ATOM 27 CL LIG 1 -4.208 2.894 -0.968 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 -3.936 3.120 1.685 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -3.951 2.671 3.003 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -4.302 1.352 3.280 0.00 0.00 +0.021 A ATOM 31 C LIG 1 -4.643 0.480 2.239 0.00 0.00 +0.052 A ATOM 32 CL LIG 1 -5.045 -1.147 2.675 0.00 0.00 -0.083 Cl ENDBRANCH 24 25 BRANCH 21 33 ATOM 33 C LIG 1 -4.578 -2.575 -2.825 0.00 0.00 +0.058 C ATOM 34 C LIG 1 -3.582 -2.242 -3.905 0.00 0.00 +0.012 C ATOM 35 C LIG 1 -5.033 -2.403 -4.251 0.00 0.00 +0.012 C ENDBRANCH 21 33 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9