REMARK Name = BDB060538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.156 -1.948 0.124 0.00 0.00 +0.161 A ATOM 2 N LIG 1 1.577 -0.697 0.487 0.00 0.00 -0.342 N ATOM 3 H LIG 1 2.531 -0.405 0.613 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.477 0.079 0.738 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -0.602 -0.749 0.525 0.00 0.00 +0.089 A ATOM 6 N LIG 1 -0.163 -2.001 0.158 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.508 -3.210 -0.414 0.00 0.00 +0.082 A ATOM 8 C LIG 1 2.085 -3.172 -0.252 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.539 -4.382 -0.452 0.00 0.00 -0.169 NA ATOM 10 N LIG 1 2.582 -5.183 -0.681 0.00 0.00 -0.282 N ATOM 11 H LIG 1 2.404 -6.168 -0.852 0.00 0.00 +0.188 HD ATOM 12 C LIG 1 3.778 -4.537 -0.658 0.00 0.00 +0.129 A BRANCH 7 14 ATOM 13 C LIG 1 5.800 -2.323 -0.573 0.00 0.00 +0.248 C ATOM 14 N LIG 1 4.438 -2.178 -0.367 0.00 0.00 -0.278 N ATOM 15 H LIG 1 4.079 -1.240 -0.323 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 6.405 -3.355 -0.836 0.00 0.00 -0.270 OA BRANCH 13 20 ATOM 17 C LIG 1 8.055 1.322 -0.384 0.00 0.00 +0.120 A ATOM 18 C LIG 1 7.053 1.080 0.557 0.00 0.00 +0.046 A ATOM 19 C LIG 1 6.312 -0.107 0.508 0.00 0.00 +0.016 A ATOM 20 C LIG 1 6.570 -1.054 -0.491 0.00 0.00 +0.037 A ATOM 21 C LIG 1 7.587 -0.824 -1.421 0.00 0.00 +0.016 A ATOM 22 C LIG 1 8.318 0.365 -1.368 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 8.658 3.423 0.557 0.00 0.00 +0.277 C ATOM 24 O LIG 1 8.845 2.436 -0.449 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 13 20 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 5 25 ATOM 25 C LIG 1 -2.011 -0.410 0.663 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -2.441 0.871 1.033 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.805 1.159 1.154 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -4.772 0.176 0.899 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -4.344 -1.107 0.539 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -2.980 -1.393 0.420 0.00 0.00 +0.010 A BRANCH 28 31 ATOM 31 C LIG 1 -6.248 0.480 1.050 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -6.673 1.692 0.332 0.00 0.00 -0.294 NA ATOM 33 C LIG 1 -8.017 2.110 0.783 0.00 0.00 +0.113 C ATOM 34 C LIG 1 -8.721 2.989 -0.261 0.00 0.00 +0.175 C ATOM 35 O LIG 1 -8.982 2.286 -1.483 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -8.023 1.255 -1.756 0.00 0.00 +0.175 C ATOM 37 C LIG 1 -6.642 1.531 -1.139 0.00 0.00 +0.113 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 5 25 TORSDOF 7