REMARK Name = BDB009039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.166 0.963 -1.579 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.722 -0.122 -1.563 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.940 -0.080 -2.263 0.00 0.00 -0.040 A ATOM 4 C LIG 1 2.243 1.056 -3.021 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.361 2.136 -3.048 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.165 2.092 -2.327 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 -2.365 2.898 -1.117 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -2.351 1.767 -0.630 0.00 0.00 +0.229 C ATOM 9 N LIG 1 -1.349 0.828 -0.826 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.451 -0.053 -0.335 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 -3.538 1.279 0.236 0.00 0.00 +0.135 C BRANCH 11 12 ATOM 12 C LIG 1 -3.111 0.337 1.369 0.00 0.00 -0.031 A ATOM 13 C LIG 1 -3.317 -1.052 1.319 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -2.862 -1.877 2.349 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -2.192 -1.329 3.441 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -1.979 0.045 3.506 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.433 0.873 2.478 0.00 0.00 +0.005 A ENDBRANCH 11 12 BRANCH 11 18 ATOM 18 C LIG 1 -4.729 0.789 -0.589 0.00 0.00 -0.031 A ATOM 19 C LIG 1 -4.590 0.245 -1.877 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.706 -0.213 -2.581 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.974 -0.142 -2.010 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -7.131 0.388 -0.732 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.018 0.848 -0.027 0.00 0.00 +0.005 A ENDBRANCH 11 18 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 2.891 -1.255 -2.236 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 3.161 -1.789 -0.832 0.00 0.00 +0.069 A ATOM 26 C LIG 1 4.015 -1.000 0.111 0.00 0.00 -0.016 A ATOM 27 C LIG 1 4.667 0.284 -0.322 0.00 0.00 +0.037 C ATOM 28 C LIG 1 5.759 0.763 0.639 0.00 0.00 +0.005 C ATOM 29 C LIG 1 5.307 0.636 2.089 0.00 0.00 +0.005 C ATOM 30 C LIG 1 4.959 -0.814 2.430 0.00 0.00 +0.041 C ATOM 31 C LIG 1 4.167 -1.499 1.351 0.00 0.00 +0.023 A ATOM 32 C LIG 1 3.531 -2.790 1.716 0.00 0.00 +0.268 A ATOM 33 O LIG 1 3.658 -3.281 2.833 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 2.804 -3.400 0.730 0.00 0.00 -0.243 N ATOM 35 H LIG 1 2.364 -4.284 0.960 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 2.599 -2.921 -0.525 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6