REMARK Name = BDB029339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.009 -1.705 0.017 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -1.318 -1.307 0.208 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -1.411 -0.508 0.835 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.385 -2.654 -0.650 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.177 -0.230 1.402 0.00 0.00 -0.029 A ATOM 6 C LIG 1 2.622 0.887 2.040 0.00 0.00 +0.028 A ATOM 7 C LIG 1 1.243 1.118 2.004 0.00 0.00 +0.046 A ATOM 8 N LIG 1 0.413 0.259 1.367 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 0.965 -0.821 0.740 0.00 0.00 +0.126 A ATOM 10 C LIG 1 2.319 -1.107 0.737 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 0.650 2.329 2.685 0.00 0.00 +0.038 C ATOM 12 C LIG 1 0.816 3.694 2.054 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -0.536 3.047 2.081 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 4.664 -0.499 1.478 0.00 0.00 +0.119 C BRANCH 14 18 ATOM 15 C LIG 1 6.327 2.368 -1.660 0.00 0.00 +0.009 C ATOM 16 C LIG 1 6.143 1.465 -0.438 0.00 0.00 +0.000 C ATOM 17 C LIG 1 5.235 0.274 -0.787 0.00 0.00 +0.088 C ATOM 18 N LIG 1 5.283 -0.824 0.182 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 6.647 -1.354 0.360 0.00 0.00 +0.088 C ATOM 20 C LIG 1 7.821 -0.449 -0.072 0.00 0.00 +0.000 C ATOM 21 C LIG 1 8.292 -0.729 -1.503 0.00 0.00 +0.009 C ATOM 22 C LIG 1 7.496 1.031 0.151 0.00 0.00 +0.009 C ENDBRANCH 14 18 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 -2.488 -1.827 -0.363 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -3.699 -1.226 0.009 0.00 0.00 +0.027 A ATOM 25 C LIG 1 -4.945 -1.604 -0.538 0.00 0.00 -0.039 A ATOM 26 C LIG 1 -4.911 -2.652 -1.479 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.716 -3.276 -1.843 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -2.507 -2.865 -1.286 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 -6.316 -0.833 -0.138 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.612 -1.720 -0.012 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -7.280 -1.890 1.491 0.00 0.00 +0.093 C ATOM 32 C LIG 1 -6.545 -0.535 1.394 0.00 0.00 +0.030 C BRANCH 31 33 ATOM 33 C LIG 1 -8.413 -1.933 2.386 0.00 0.00 +0.066 C ATOM 34 N LIG 1 -9.324 -1.976 3.103 0.00 0.00 -0.196 NA ENDBRANCH 31 33 BRANCH 29 35 ATOM 35 C LIG 1 -6.518 0.391 -1.061 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 C LIG 1 -5.463 1.428 -0.864 0.00 0.00 +0.134 A ATOM 37 N LIG 1 -4.470 1.740 -1.756 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -4.243 1.177 -3.059 0.00 0.00 +0.151 C ATOM 39 C LIG 1 -3.711 2.698 -1.157 0.00 0.00 +0.224 A ATOM 40 N LIG 1 -4.205 2.973 0.026 0.00 0.00 -0.138 NA ATOM 41 N LIG 1 -5.309 2.177 0.210 0.00 0.00 -0.135 NA ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 25 29 ENDBRANCH 2 23 TORSDOF 9