REMARK Name = BDB046495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.974 -0.021 0.294 0.00 0.00 -0.302 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.377 -0.461 0.324 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.766 -1.688 -0.249 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.098 -2.118 -0.220 0.00 0.00 +0.010 A ATOM 5 C LIG 1 3.070 -1.332 0.391 0.00 0.00 -0.016 A ATOM 6 C LIG 1 2.714 -0.123 0.980 0.00 0.00 +0.010 A ATOM 7 C LIG 1 1.381 0.304 0.951 0.00 0.00 +0.024 A BRANCH 5 8 ATOM 8 C LIG 1 4.429 -1.762 0.410 0.00 0.00 +0.008 C ATOM 9 C LIG 1 5.675 -2.145 0.417 0.00 0.00 +0.111 C ATOM 10 C LIG 1 6.728 -1.242 0.944 0.00 0.00 +0.277 C ATOM 11 O LIG 1 6.444 -0.101 1.320 0.00 0.00 -0.268 OA ATOM 12 N LIG 1 7.956 -1.759 0.930 0.00 0.00 -0.122 NA ATOM 13 C LIG 1 8.090 -3.093 0.823 0.00 0.00 +0.353 C ATOM 14 O LIG 1 8.959 -3.691 1.458 0.00 0.00 -0.248 OA ATOM 15 N LIG 1 7.354 -3.732 -0.103 0.00 0.00 -0.122 NA ATOM 16 C LIG 1 6.060 -3.433 -0.209 0.00 0.00 +0.277 C ATOM 17 O LIG 1 5.217 -4.119 -0.798 0.00 0.00 -0.268 OA ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.299 1.373 0.592 0.00 0.00 +0.139 C BRANCH 18 19 ATOM 19 C LIG 1 -1.623 2.847 0.898 0.00 0.00 +0.227 C BRANCH 19 20 ATOM 20 O LIG 1 -1.915 4.116 1.163 0.00 0.00 -0.475 OA BRANCH 20 24 ATOM 21 C LIG 1 0.924 7.103 0.466 0.00 0.00 +0.052 A ATOM 22 C LIG 1 -0.368 7.396 0.914 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -1.283 6.364 1.134 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -0.923 5.032 0.905 0.00 0.00 +0.122 A ATOM 25 C LIG 1 0.369 4.740 0.456 0.00 0.00 +0.047 A ATOM 26 C LIG 1 1.290 5.774 0.239 0.00 0.00 +0.022 A BRANCH 21 28 ATOM 27 N LIG 1 2.598 9.047 0.081 0.00 0.00 -0.191 NA ATOM 28 C LIG 1 1.861 8.166 0.247 0.00 0.00 +0.099 C ENDBRANCH 21 28 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 29 ATOM 29 C LIG 1 -1.958 -0.699 -0.548 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 C LIG 1 -3.006 -1.417 -1.422 0.00 0.00 +0.227 C BRANCH 30 31 ATOM 31 O LIG 1 -3.909 -2.034 -2.178 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.804 -2.830 -1.506 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -4.673 -3.261 -0.182 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -5.655 -4.078 0.392 0.00 0.00 +0.022 A ATOM 35 C LIG 1 -6.769 -4.475 -0.357 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.894 -4.057 -1.685 0.00 0.00 +0.022 A ATOM 37 C LIG 1 -5.914 -3.239 -2.255 0.00 0.00 +0.047 A BRANCH 35 38 ATOM 38 C LIG 1 -7.778 -5.305 0.233 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.606 -5.971 0.702 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 12