REMARK Name = BDB039068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.454 0.816 -0.644 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.485 -0.046 -0.162 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.110 0.440 -0.138 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.071 -0.620 0.130 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.426 -1.962 0.397 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.439 -2.931 0.618 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.080 -2.602 0.615 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.737 -1.264 0.377 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.482 -0.586 0.311 0.00 0.00 -0.322 N ATOM 10 C LIG 1 -0.202 0.739 -0.006 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.107 0.912 -0.077 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.879 -2.366 0.382 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.699 -0.297 0.135 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.796 -1.186 0.691 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.210 1.890 -1.182 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.105 1.932 -0.240 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.464 2.671 1.059 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.810 3.399 0.995 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.078 4.060 -0.359 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.947 3.076 -1.540 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.294 1.737 -1.171 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.183 5.282 -0.529 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -1.167 5.318 -1.204 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.617 6.356 0.170 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.434 6.204 0.680 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.743 1.204 -0.952 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.717 0.342 -0.459 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.752 -1.287 0.549 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 C LIG 1 -2.401 -1.720 -0.781 0.00 0.00 +0.062 C BRANCH 29 30 ATOM 30 C LIG 1 -3.551 -2.685 -0.619 0.00 0.00 -0.045 A ATOM 31 C LIG 1 -3.314 -4.019 -0.258 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.379 -4.906 -0.093 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.688 -4.470 -0.291 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.934 -3.148 -0.655 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.871 -2.259 -0.820 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -2.686 -0.604 1.559 0.00 0.00 +0.181 C BRANCH 36 37 ATOM 37 O LIG 1 -2.087 -0.506 2.852 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 -1.215 -0.079 2.766 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 9 28 TORSDOF 9