REMARK Name = BDB008733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.163 -1.022 0.082 0.00 0.00 +0.127 A ATOM 2 N LIG 1 1.384 0.279 0.323 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.380 1.145 0.079 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.864 0.774 -0.396 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -1.098 -0.579 -0.639 0.00 0.00 -0.008 A ATOM 6 C LIG 1 -0.057 -1.486 -0.400 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.407 -1.045 -1.138 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -3.488 -1.297 -0.235 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -4.731 -1.737 -0.734 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -5.793 -1.995 0.049 0.00 0.00 -0.252 NA ATOM 11 C LIG 1 -5.678 -1.827 1.385 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -4.503 -1.401 1.980 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -6.886 -2.122 2.223 0.00 0.00 +0.065 C ATOM 14 C LIG 1 -4.876 -1.919 -2.098 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -3.832 -1.682 -2.995 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -3.407 -1.137 1.165 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -2.596 -1.244 -2.526 0.00 0.00 +0.128 A BRANCH 17 18 ATOM 18 O LIG 1 -1.512 -0.991 -3.328 0.00 0.00 -0.494 OA ATOM 19 C LIG 1 -1.706 -1.043 -4.736 0.00 0.00 +0.277 C ENDBRANCH 17 18 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 3.419 -1.719 0.835 0.00 0.00 +0.235 C ATOM 21 N LIG 1 2.171 -1.974 0.292 0.00 0.00 -0.269 N ATOM 22 H LIG 1 1.943 -2.928 0.055 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 3.795 -0.655 1.322 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 4.332 -2.981 0.859 0.00 0.00 +0.137 C ATOM 25 C LIG 1 4.499 -3.616 -0.523 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 6.579 -1.969 0.691 0.00 0.00 +0.101 C ATOM 27 N LIG 1 5.624 -2.688 1.530 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 5.403 -2.074 2.321 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 1 21 BRANCH 3 29 ATOM 29 C LIG 1 0.688 2.511 0.355 0.00 0.00 -0.041 C ATOM 30 C LIG 1 0.955 3.658 0.592 0.00 0.00 -0.060 C BRANCH 30 31 ATOM 31 C LIG 1 1.294 5.016 0.883 0.00 0.00 +0.025 A ATOM 32 C LIG 1 2.525 5.316 1.472 0.00 0.00 +0.017 A ATOM 33 C LIG 1 2.858 6.641 1.758 0.00 0.00 +0.001 A ATOM 34 C LIG 1 1.962 7.667 1.457 0.00 0.00 +0.000 A ATOM 35 C LIG 1 0.732 7.369 0.869 0.00 0.00 +0.001 A ATOM 36 C LIG 1 0.397 6.044 0.582 0.00 0.00 +0.017 A ENDBRANCH 30 31 ENDBRANCH 3 29 TORSDOF 7