REMARK Name = BDB002340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.327 0.324 0.688 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.396 1.328 0.571 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -1.027 1.044 0.717 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -1.648 2.405 1.035 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.729 3.381 0.303 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.648 2.756 0.470 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.993 -0.846 0.914 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.621 0.471 -0.587 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.826 -0.173 -0.409 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -3.146 -0.391 0.524 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -1.101 0.630 -1.689 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.543 -0.783 -1.515 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -4.591 0.150 -2.119 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -5.174 1.206 -1.397 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.145 2.022 -1.983 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.551 1.794 -3.296 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.989 0.749 -4.025 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.018 -0.067 -3.441 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -4.090 -2.131 -1.055 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -5.366 -2.279 -0.487 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -5.810 -3.528 -0.044 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.981 -4.642 -0.149 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.707 -4.511 -0.694 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.262 -3.265 -1.139 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.812 0.690 0.479 0.00 0.00 +0.160 C BRANCH 25 27 ATOM 26 C LIG 1 4.019 -0.029 2.509 0.00 0.00 +0.230 C ATOM 27 N LIG 1 3.596 -0.302 1.218 0.00 0.00 -0.303 N ATOM 28 H LIG 1 3.315 -1.261 1.038 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 3.975 1.103 2.986 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 4.528 -1.282 3.261 0.00 0.00 +0.137 C ATOM 31 C LIG 1 3.332 -1.980 3.905 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 6.769 -0.457 3.733 0.00 0.00 +0.101 C ATOM 33 N LIG 1 5.522 -0.949 4.302 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 5.714 -1.777 4.864 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 3.160 0.654 -1.010 0.00 0.00 +0.041 C BRANCH 35 36 ATOM 36 C LIG 1 4.564 1.204 -1.266 0.00 0.00 +0.098 C BRANCH 36 37 ATOM 37 C LIG 1 4.933 1.172 -2.732 0.00 0.00 +0.211 C ATOM 38 O LIG 1 4.234 0.705 -3.621 0.00 0.00 -0.276 OA ATOM 39 N LIG 1 6.153 1.717 -3.010 0.00 0.00 -0.329 N ATOM 40 H LIG 1 6.470 1.683 -3.971 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 6.801 2.011 -2.293 0.00 0.00 +0.145 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 11