REMARK Name = BDB031834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.704 0.559 1.359 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.930 1.504 0.339 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.114 1.474 -0.799 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.069 0.575 -0.963 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.496 0.903 -2.233 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -0.181 1.885 -2.836 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.167 -0.365 0.057 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.120 2.227 -1.940 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.753 2.981 -2.174 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.646 -0.352 1.200 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.589 -0.909 -0.794 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.597 -0.795 0.192 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.853 -0.053 1.336 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.047 0.266 2.563 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -2.561 0.559 2.604 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.990 1.085 3.416 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.170 1.217 2.706 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.967 1.718 3.065 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -4.733 1.537 4.519 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -3.108 -0.736 3.172 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.110 0.549 1.481 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.110 0.458 0.536 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.837 -0.282 -0.618 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -6.174 -1.804 -2.922 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.220 -1.659 -1.878 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.543 0.285 -2.833 0.00 0.00 -0.293 N ATOM 27 H LIG 1 1.748 0.697 -3.740 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 2.743 -0.178 -2.243 0.00 0.00 +0.095 A ATOM 29 C LIG 1 3.420 0.440 -1.177 0.00 0.00 +0.237 A ATOM 30 N LIG 1 4.590 -0.003 -0.657 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 5.139 -1.105 -1.228 0.00 0.00 +0.129 A ATOM 32 C LIG 1 4.558 -1.778 -2.296 0.00 0.00 +0.035 A ATOM 33 C LIG 1 3.359 -1.296 -2.815 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 6.404 -1.656 -0.637 0.00 0.00 +0.265 C ATOM 35 N LIG 1 7.329 -0.808 -0.016 0.00 0.00 -0.302 N ATOM 36 C LIG 1 7.284 0.645 -0.065 0.00 0.00 +0.132 C ATOM 37 C LIG 1 8.411 -1.394 0.755 0.00 0.00 +0.132 C ATOM 38 O LIG 1 6.588 -2.872 -0.723 0.00 0.00 -0.268 OA ENDBRANCH 31 34 BRANCH 29 39 ATOM 39 O LIG 1 2.896 1.618 -0.681 0.00 0.00 -0.478 OA ATOM 40 C LIG 1 3.434 1.993 0.581 0.00 0.00 +0.279 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6