REMARK Name = BDB065373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.340 -0.813 0.919 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.935 -1.043 -0.402 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -0.680 -0.613 -0.846 0.00 0.00 +0.010 A ATOM 4 C LIG 1 0.200 0.053 0.018 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.208 0.279 1.340 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -1.464 -0.149 1.786 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.497 0.486 -0.474 0.00 0.00 +0.113 A ATOM 8 N LIG 1 1.882 0.398 -1.790 0.00 0.00 -0.130 NA ATOM 9 N LIG 1 3.115 0.874 -1.899 0.00 0.00 -0.065 NA ATOM 10 N LIG 1 3.508 1.245 -0.671 0.00 0.00 -0.251 N ATOM 11 C LIG 1 2.531 1.033 0.255 0.00 0.00 +0.138 A BRANCH 10 12 ATOM 12 C LIG 1 4.826 1.799 -0.462 0.00 0.00 +0.146 C BRANCH 12 13 ATOM 13 C LIG 1 5.855 0.764 -0.013 0.00 0.00 +0.034 C BRANCH 13 14 ATOM 14 C LIG 1 6.159 -0.278 -1.086 0.00 0.00 +0.122 C BRANCH 14 15 ATOM 15 C LIG 1 7.303 -1.150 -0.660 0.00 0.00 +0.305 C ATOM 16 O LIG 1 8.461 -1.047 -1.023 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 6.938 -2.089 0.233 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 7.764 -2.586 0.410 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 -3.702 -1.273 1.393 0.00 0.00 +0.161 C BRANCH 19 24 ATOM 20 C LIG 1 -6.796 0.816 -0.414 0.00 0.00 +0.123 A ATOM 21 N LIG 1 -6.561 -0.395 -0.810 0.00 0.00 -0.178 NA ATOM 22 C LIG 1 -5.541 -1.119 -0.237 0.00 0.00 +0.350 A ATOM 23 O LIG 1 -5.297 -2.261 -0.620 0.00 0.00 -0.244 OA ATOM 24 N LIG 1 -4.794 -0.519 0.781 0.00 0.00 -0.295 N ATOM 25 C LIG 1 -5.048 0.769 1.196 0.00 0.00 +0.094 A ATOM 26 C LIG 1 -6.023 1.490 0.645 0.00 0.00 +0.061 A BRANCH 20 27 ATOM 27 N LIG 1 -7.818 1.482 -1.034 0.00 0.00 -0.343 N ATOM 28 H LIG 1 -8.118 0.998 -1.876 0.00 0.00 +0.144 HD ATOM 29 H LIG 1 -7.685 2.474 -1.183 0.00 0.00 +0.144 HD ENDBRANCH 20 27 ENDBRANCH 19 24 ENDBRANCH 1 19 TORSDOF 9