REMARK Name = BDB058530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.396 -0.060 -1.150 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.377 1.068 -1.332 0.00 0.00 -0.288 N ATOM 3 C LIG 1 1.658 1.192 -0.648 0.00 0.00 +0.162 C ATOM 4 C LIG 1 2.434 2.224 -1.470 0.00 0.00 +0.033 C ATOM 5 C LIG 1 1.328 3.083 -2.079 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.235 2.069 -2.374 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -0.074 -0.930 -0.335 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.498 1.670 0.810 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.603 1.396 1.592 0.00 0.00 -0.307 N ATOM 10 H LIG 1 3.283 0.728 1.252 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.525 2.296 1.224 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 2.640 1.698 3.015 0.00 0.00 +0.103 C ATOM 13 C LIG 1 4.091 1.709 3.461 0.00 0.00 -0.024 A ATOM 14 C LIG 1 4.652 0.636 4.179 0.00 0.00 -0.042 A ATOM 15 C LIG 1 6.008 0.679 4.533 0.00 0.00 +0.004 A ATOM 16 C LIG 1 6.808 1.760 4.164 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.259 2.813 3.441 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.814 -0.528 4.650 0.00 0.00 +0.035 C ATOM 19 C LIG 1 2.485 -0.658 3.909 0.00 0.00 +0.007 C ATOM 20 C LIG 1 4.911 2.789 3.091 0.00 0.00 +0.006 A ATOM 21 C LIG 1 1.794 0.699 3.822 0.00 0.00 +0.027 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -1.703 -0.171 -1.974 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 C LIG 1 -2.855 0.619 -1.311 0.00 0.00 +0.018 C ATOM 24 C LIG 1 -3.261 0.078 0.073 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -4.400 0.895 0.681 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -5.607 0.941 -0.247 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -5.232 1.467 -1.628 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -4.080 0.677 -2.242 0.00 0.00 +0.006 C ENDBRANCH 22 23 BRANCH 22 30 ATOM 29 C LIG 1 -1.358 -2.341 -3.101 0.00 0.00 +0.230 C ATOM 30 N LIG 1 -2.019 -1.581 -2.156 0.00 0.00 -0.302 N ATOM 31 H LIG 1 -2.360 -2.111 -1.360 0.00 0.00 +0.150 HD ATOM 32 O LIG 1 -0.623 -1.852 -3.955 0.00 0.00 -0.274 OA BRANCH 29 33 ATOM 33 C LIG 1 -1.579 -3.865 -2.918 0.00 0.00 +0.137 C ATOM 34 C LIG 1 -1.093 -4.622 -4.153 0.00 0.00 +0.034 C BRANCH 33 36 ATOM 35 C LIG 1 -3.256 -5.421 -2.060 0.00 0.00 +0.101 C ATOM 36 N LIG 1 -3.012 -4.104 -2.624 0.00 0.00 -0.309 NA ATOM 37 H LIG 1 -3.546 -3.989 -3.486 0.00 0.00 +0.122 HD ENDBRANCH 33 36 ENDBRANCH 29 33 ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 7