REMARK Name = BDB014298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.023 0.195 -1.360 0.00 0.00 -0.309 N ATOM 2 C LIG 1 3.652 1.232 -0.640 0.00 0.00 +0.276 A ATOM 3 O LIG 1 4.839 1.530 -0.745 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 2.756 1.932 0.247 0.00 0.00 +0.113 A ATOM 5 C LIG 1 1.419 1.648 0.400 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.881 2.554 1.336 0.00 0.00 +0.031 A ATOM 7 C LIG 1 1.920 3.374 1.747 0.00 0.00 +0.014 A ATOM 8 C LIG 1 1.942 4.501 2.711 0.00 0.00 +0.063 C ATOM 9 C LIG 1 0.848 0.579 -0.363 0.00 0.00 +0.011 A ATOM 10 N LIG 1 3.057 2.981 1.073 0.00 0.00 -0.354 N ATOM 11 H LIG 1 3.977 3.395 1.155 0.00 0.00 +0.166 HD ATOM 12 C LIG 1 1.661 -0.105 -1.204 0.00 0.00 +0.098 A ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 -0.563 0.133 -0.260 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -1.481 0.277 -1.312 0.00 0.00 +0.128 A ATOM 15 C LIG 1 -2.796 -0.173 -1.139 0.00 0.00 +0.056 A ATOM 16 C LIG 1 -3.235 -0.768 0.066 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -2.301 -0.886 1.121 0.00 0.00 +0.127 A ATOM 18 C LIG 1 -0.984 -0.447 0.948 0.00 0.00 +0.058 A BRANCH 16 19 ATOM 19 C LIG 1 -4.696 -1.227 0.229 0.00 0.00 +0.089 C ATOM 20 C LIG 1 -5.463 -0.231 1.111 0.00 0.00 +0.046 C ATOM 21 C LIG 1 -5.472 -1.415 -1.085 0.00 0.00 +0.046 C BRANCH 19 22 ATOM 22 O LIG 1 -4.753 -2.512 0.863 0.00 0.00 -0.384 OA ATOM 23 H LIG 1 -4.100 -2.490 1.588 0.00 0.00 +0.211 HD ENDBRANCH 19 22 ENDBRANCH 16 19 BRANCH 14 24 ATOM 24 O LIG 1 -1.005 0.858 -2.460 0.00 0.00 -0.494 OA ATOM 25 C LIG 1 -1.938 1.165 -3.487 0.00 0.00 +0.277 C ENDBRANCH 14 24 BRANCH 17 26 ATOM 26 O LIG 1 -2.763 -1.463 2.279 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -1.904 -1.446 3.414 0.00 0.00 +0.277 C ENDBRANCH 17 26 ENDBRANCH 9 13 BRANCH 1 28 ATOM 28 C LIG 1 3.829 -0.595 -2.278 0.00 0.00 +0.152 C BRANCH 28 31 ATOM 29 C LIG 1 6.014 -3.345 -0.559 0.00 0.00 +0.035 C ATOM 30 C LIG 1 5.561 -2.099 -1.247 0.00 0.00 -0.033 C ATOM 31 C LIG 1 4.285 -1.848 -1.585 0.00 0.00 -0.010 C ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 7