REMARK Name = BDB047278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.416 -0.446 1.472 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.759 0.691 0.511 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 3.038 1.242 0.831 0.00 0.00 -0.492 OA BRANCH 3 11 ATOM 4 C LIG 1 9.893 2.390 -0.023 0.00 0.00 +0.068 C ATOM 5 C LIG 1 8.940 1.189 -0.004 0.00 0.00 +0.203 C ATOM 6 O LIG 1 7.651 1.712 0.365 0.00 0.00 -0.474 OA ATOM 7 C LIG 1 6.555 0.975 0.001 0.00 0.00 +0.129 A ATOM 8 C LIG 1 6.609 -0.140 -0.834 0.00 0.00 -0.005 A ATOM 9 C LIG 1 5.427 -0.842 -1.102 0.00 0.00 +0.011 A ATOM 10 C LIG 1 4.206 -0.417 -0.567 0.00 0.00 +0.046 A ATOM 11 C LIG 1 4.153 0.716 0.242 0.00 0.00 +0.124 A ATOM 12 C LIG 1 7.908 -0.608 -1.415 0.00 0.00 +0.043 C ATOM 13 C LIG 1 5.335 1.405 0.524 0.00 0.00 +0.091 A ATOM 14 C LIG 1 8.927 0.521 -1.384 0.00 0.00 +0.064 C BRANCH 5 15 ATOM 15 C LIG 1 9.462 0.228 1.081 0.00 0.00 +0.349 C ATOM 16 O LIG 1 10.413 -0.529 0.938 0.00 0.00 -0.246 OA BRANCH 15 17 ATOM 17 O LIG 1 8.778 0.316 2.248 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 8.035 0.952 2.161 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 5 15 ENDBRANCH 3 11 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.100 -1.125 1.115 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 -0.943 -0.154 1.141 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 -2.199 -0.551 0.768 0.00 0.00 +0.139 A ATOM 22 C LIG 1 -3.173 0.450 0.652 0.00 0.00 +0.083 A ATOM 23 CL LIG 1 -2.791 2.112 0.954 0.00 0.00 -0.080 Cl ATOM 24 C LIG 1 -4.488 0.139 0.280 0.00 0.00 +0.027 A ATOM 25 C LIG 1 -4.868 -1.181 0.016 0.00 0.00 -0.043 A ATOM 26 C LIG 1 -3.887 -2.178 0.139 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -2.571 -1.871 0.510 0.00 0.00 +0.047 A BRANCH 25 28 ATOM 28 C LIG 1 -6.282 -1.579 -0.391 0.00 0.00 +0.019 C ATOM 29 C LIG 1 -6.715 -1.021 -1.761 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -7.330 0.377 -1.715 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -8.405 0.459 -0.659 0.00 0.00 -0.029 C ATOM 32 C LIG 1 -9.424 1.570 -0.770 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -9.833 0.153 -1.056 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -7.939 0.061 0.721 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -7.335 -1.342 0.709 0.00 0.00 +0.009 C ENDBRANCH 25 28 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9