REMARK Name = BDB031795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.321 0.467 -2.421 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.536 -0.688 -2.599 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.327 -0.790 -1.901 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.152 0.200 -1.055 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.391 -0.306 -0.545 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.640 -1.524 -1.033 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.611 1.372 -0.899 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.618 -1.776 -1.858 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.619 -2.655 -2.360 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.828 1.487 -1.589 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.777 0.047 1.474 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.418 -0.124 0.132 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.088 0.605 -0.844 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.957 0.685 -2.340 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.655 0.624 -3.116 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.032 1.665 -2.750 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.663 2.084 -1.592 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.426 2.743 -1.595 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.275 2.006 -3.895 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.644 -0.524 -3.173 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.123 1.471 -0.460 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.515 1.649 0.849 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.824 0.923 1.821 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.013 -1.337 2.267 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.190 -0.583 2.539 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.136 0.403 0.333 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.843 1.340 0.581 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.450 0.175 0.816 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -3.920 1.021 1.824 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -5.189 0.747 2.290 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -5.956 -0.263 1.836 0.00 0.00 -0.236 NA ATOM 32 C LIG 1 -5.419 -1.029 0.870 0.00 0.00 +0.134 A ATOM 33 N LIG 1 -4.197 -0.843 0.347 0.00 0.00 -0.213 NA BRANCH 32 34 ATOM 34 C LIG 1 -6.233 -2.182 0.326 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.530 -3.203 1.423 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -7.522 -1.681 -0.324 0.00 0.00 +0.015 C ENDBRANCH 32 34 BRANCH 29 37 ATOM 37 O LIG 1 -3.097 2.036 2.234 0.00 0.00 -0.490 OA ATOM 38 C LIG 1 -3.566 2.838 3.312 0.00 0.00 +0.277 C ENDBRANCH 29 37 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6