REMARK Name = BDB043708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.674 0.012 1.959 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -0.338 0.144 2.408 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.105 0.267 3.783 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -1.166 0.276 4.694 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -2.479 0.173 4.246 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.735 0.046 2.882 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -3.118 -0.857 0.181 0.00 0.00 -0.311 N ATOM 8 H LIG 1 -3.500 -1.460 0.899 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -1.974 -0.148 0.502 0.00 0.00 +0.246 C ATOM 10 O LIG 1 -1.200 0.296 -0.342 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 -3.408 -1.209 -1.196 0.00 0.00 +0.105 C BRANCH 11 12 ATOM 12 C LIG 1 -4.896 -1.486 -1.407 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.775 -0.251 -1.199 0.00 0.00 +0.122 C BRANCH 13 15 ATOM 14 O LIG 1 -5.062 0.635 -3.360 0.00 0.00 -0.251 OA ATOM 15 C LIG 1 -5.545 0.798 -2.252 0.00 0.00 +0.305 C BRANCH 15 16 ATOM 16 O LIG 1 -5.981 2.011 -1.863 0.00 0.00 -0.481 OA ATOM 17 H LIG 1 -5.777 2.595 -2.623 0.00 0.00 +0.295 HD ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 N LIG 1 0.714 0.166 1.458 0.00 0.00 -0.281 N ATOM 19 H LIG 1 0.397 0.140 0.487 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 2.075 0.203 1.682 0.00 0.00 +0.248 C ATOM 21 O LIG 1 2.635 0.118 2.769 0.00 0.00 -0.270 OA BRANCH 20 22 ATOM 22 C LIG 1 2.921 0.315 0.455 0.00 0.00 +0.038 A ATOM 23 C LIG 1 4.209 -0.238 0.486 0.00 0.00 +0.021 A ATOM 24 C LIG 1 5.053 -0.166 -0.634 0.00 0.00 -0.017 A ATOM 25 C LIG 1 4.598 0.482 -1.805 0.00 0.00 -0.018 A ATOM 26 C LIG 1 5.442 0.552 -2.924 0.00 0.00 +0.008 A ATOM 27 C LIG 1 6.719 -0.009 -2.890 0.00 0.00 +0.001 A ATOM 28 C LIG 1 7.169 -0.647 -1.738 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.313 1.048 -1.821 0.00 0.00 +0.009 A ATOM 30 C LIG 1 6.341 -0.725 -0.616 0.00 0.00 +0.008 A ATOM 31 C LIG 1 2.481 0.970 -0.700 0.00 0.00 +0.013 A ENDBRANCH 20 22 ENDBRANCH 2 18 TORSDOF 8