REMARK Name = BDB062457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.605 -1.585 0.771 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.867 -1.670 0.152 0.00 0.00 +0.036 A ATOM 3 C LIG 1 2.548 -2.890 0.052 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.935 -4.051 0.550 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.685 -3.983 1.165 0.00 0.00 +0.003 A ATOM 6 C LIG 1 0.028 -2.759 1.279 0.00 0.00 +0.008 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -2.033 1.104 0.412 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -1.373 -0.127 0.312 0.00 0.00 +0.021 A ATOM 9 C LIG 1 -0.096 -0.296 0.869 0.00 0.00 -0.017 A ATOM 10 C LIG 1 0.499 0.804 1.512 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -0.151 2.039 1.590 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.418 2.194 1.032 0.00 0.00 +0.013 A BRANCH 7 15 ATOM 13 C LIG 1 -5.722 0.612 -0.447 0.00 0.00 +0.076 C ATOM 14 N LIG 1 -4.438 0.531 0.282 0.00 0.00 -0.294 N ATOM 15 C LIG 1 -3.366 1.290 -0.195 0.00 0.00 +0.247 C ATOM 16 O LIG 1 -3.461 2.114 -1.102 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -4.356 -0.374 1.434 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -5.691 -0.542 2.151 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -6.812 -0.988 1.214 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -6.519 -0.685 -0.254 0.00 0.00 +0.022 C BRANCH 13 21 ATOM 21 C LIG 1 -6.496 1.891 -0.051 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 22 C LIG 1 -7.707 2.202 -2.278 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -7.833 2.106 -0.766 0.00 0.00 -0.002 C ENDBRANCH 21 23 ENDBRANCH 13 21 ENDBRANCH 7 15 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 N LIG 1 3.825 -2.997 -0.578 0.00 0.00 -0.236 N ATOM 25 C LIG 1 4.748 -2.011 -0.918 0.00 0.00 +0.063 A ATOM 26 C LIG 1 5.706 -2.616 -1.719 0.00 0.00 +0.100 A ATOM 27 C LIG 1 5.377 -3.983 -1.654 0.00 0.00 +0.150 A ATOM 28 N LIG 1 4.287 -4.227 -0.932 0.00 0.00 -0.174 NA BRANCH 25 29 ATOM 29 C LIG 1 4.768 -0.516 -0.449 0.00 0.00 +0.047 C ATOM 30 C LIG 1 5.989 0.039 0.267 0.00 0.00 +0.030 C ATOM 31 C LIG 1 4.726 -0.252 1.035 0.00 0.00 +0.019 C BRANCH 30 32 ATOM 32 C LIG 1 6.410 1.485 0.129 0.00 0.00 -0.026 A ATOM 33 C LIG 1 6.915 2.199 1.218 0.00 0.00 +0.114 A ATOM 34 N LIG 1 7.322 3.492 1.191 0.00 0.00 -0.263 NA ATOM 35 C LIG 1 7.227 4.126 0.005 0.00 0.00 +0.111 A ATOM 36 C LIG 1 6.750 3.526 -1.145 0.00 0.00 +0.020 A ATOM 37 C LIG 1 6.343 2.195 -1.076 0.00 0.00 +0.007 A ENDBRANCH 30 32 ENDBRANCH 25 29 BRANCH 26 38 ATOM 38 C LIG 1 6.829 -2.068 -2.437 0.00 0.00 +0.340 C ATOM 39 O LIG 1 7.740 -2.727 -2.917 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 6.816 -0.730 -2.605 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 7.641 -0.562 -3.105 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 26 38 ENDBRANCH 3 24 TORSDOF 9