REMARK Name = BDB049609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.352 0.111 -0.176 0.00 0.00 +0.052 A ATOM 2 C LIG 1 1.656 -1.191 0.335 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.474 -1.717 0.847 0.00 0.00 +0.146 A ATOM 4 N LIG 1 0.319 -2.905 1.467 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 1.450 -3.637 1.530 0.00 0.00 +0.216 A ATOM 6 C LIG 1 2.684 -3.247 1.037 0.00 0.00 +0.068 A ATOM 7 N LIG 1 -0.541 -0.826 0.586 0.00 0.00 -0.324 N ATOM 8 C LIG 1 2.804 -2.001 0.421 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -0.013 0.324 0.026 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.824 1.536 -0.289 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 2.249 1.073 -0.818 0.00 0.00 +0.195 C ATOM 12 O LIG 1 1.897 1.752 -1.781 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 6.255 1.645 0.619 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.965 1.743 -0.742 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.655 1.554 -1.196 0.00 0.00 +0.015 A ATOM 16 C LIG 1 3.628 1.253 -0.293 0.00 0.00 +0.023 A ATOM 17 C LIG 1 3.913 1.177 1.074 0.00 0.00 +0.015 A ATOM 18 C LIG 1 5.224 1.365 1.521 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.568 2.112 0.323 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.486 1.805 1.193 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 O LIG 1 1.421 -4.885 2.130 0.00 0.00 -0.480 OA ATOM 22 C LIG 1 0.113 -5.284 2.524 0.00 0.00 +0.279 C ENDBRANCH 5 21 BRANCH 7 23 ATOM 23 C LIG 1 -1.937 -1.082 0.945 0.00 0.00 +0.160 C BRANCH 23 24 ATOM 24 C LIG 1 -2.890 -1.059 -0.233 0.00 0.00 -0.006 A ATOM 25 C LIG 1 -2.880 -2.030 -1.246 0.00 0.00 +0.046 A ATOM 26 CL LIG 1 -1.809 -3.381 -1.229 0.00 0.00 -0.083 Cl ATOM 27 C LIG 1 -3.779 -1.948 -2.311 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.705 -0.907 -2.373 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -4.754 0.057 -1.368 0.00 0.00 +0.122 A ATOM 30 C LIG 1 -3.855 -0.026 -0.303 0.00 0.00 +0.052 A BRANCH 29 31 ATOM 31 O LIG 1 -5.713 1.013 -1.552 0.00 0.00 -0.478 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.867 2.051 -0.572 0.00 0.00 +0.278 C ATOM 33 C LIG 1 -4.901 3.192 -0.857 0.00 0.00 +0.064 C BRANCH 32 34 ATOM 34 C LIG 1 -7.300 2.577 -0.684 0.00 0.00 +0.346 C ATOM 35 O LIG 1 -7.754 3.488 -0.006 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -8.041 1.927 -1.616 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -7.489 1.241 -2.052 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 10