REMARK Name = BDB034249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.021 -2.309 -1.338 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.789 -1.503 -0.589 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.087 -1.369 -1.107 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.997 -0.571 -0.436 0.00 0.00 -0.015 A ATOM 5 C LIG 1 4.424 -0.278 -0.748 0.00 0.00 +0.144 C ATOM 6 N LIG 1 4.784 0.690 0.280 0.00 0.00 -0.282 N ATOM 7 C LIG 1 3.776 0.843 1.221 0.00 0.00 +0.248 C ATOM 8 O LIG 1 3.801 1.463 2.266 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.622 0.081 0.733 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.358 -0.035 1.276 0.00 0.00 +0.017 A ATOM 11 C LIG 1 0.433 -0.840 0.600 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 6.170 1.097 0.487 0.00 0.00 +0.163 C ATOM 13 C LIG 1 6.890 0.143 1.453 0.00 0.00 +0.240 C ATOM 14 O LIG 1 6.620 -1.053 1.555 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 7.962 0.673 2.134 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.456 0.035 2.744 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.504 1.928 2.011 0.00 0.00 +0.219 C ATOM 18 O LIG 1 9.548 2.225 2.584 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.803 2.880 1.070 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.324 2.546 0.947 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -2.270 -1.310 -1.497 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -1.399 -2.489 -0.964 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -1.848 -3.833 -1.566 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -1.861 -3.814 -3.094 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -2.684 -2.654 -3.641 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -2.239 -1.319 -3.045 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 -5.062 -0.309 0.123 0.00 0.00 +0.047 C ATOM 28 C LIG 1 -3.761 -1.093 0.441 0.00 0.00 +0.094 C ATOM 29 N LIG 1 -3.665 -1.413 -1.010 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -4.434 -0.167 -1.289 0.00 0.00 +0.094 C BRANCH 27 34 ATOM 31 C LIG 1 -6.081 3.317 2.474 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.818 3.193 1.895 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.495 2.051 1.153 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.411 0.996 0.962 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -6.677 1.156 1.562 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.012 2.294 2.306 0.00 0.00 +0.019 A BRANCH 31 38 ATOM 37 N LIG 1 -6.691 5.432 3.846 0.00 0.00 -0.191 NA ATOM 38 C LIG 1 -6.418 4.486 3.232 0.00 0.00 +0.099 C ENDBRANCH 31 38 ENDBRANCH 27 34 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6