REMARK Name = BDB025106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.139 -2.200 3.610 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.561 -2.425 2.348 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.475 -3.803 1.803 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.860 -4.325 1.380 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.536 -3.967 0.596 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.298 -3.118 0.762 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.747 -1.690 0.859 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.061 -0.648 0.202 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.044 -0.719 -0.603 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.311 0.513 -0.991 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.615 1.397 -0.461 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.490 0.665 0.326 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.592 1.010 1.113 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.265 -0.031 1.771 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.864 -1.369 1.662 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.187 -1.130 4.207 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.699 2.845 -0.655 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.423 3.596 0.080 0.00 0.00 +0.039 C ATOM 19 C LIG 1 0.290 5.124 -0.048 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.222 5.588 -1.420 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.081 4.517 -2.494 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.868 3.260 -2.132 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.606 5.677 1.040 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.444 5.064 1.679 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.399 6.990 1.256 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.998 7.212 2.000 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -5.100 -3.205 5.509 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -4.619 -3.352 4.173 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.434 0.873 -1.921 0.00 0.00 +0.130 C BRANCH 29 30 ATOM 30 C LIG 1 2.784 0.300 -1.545 0.00 0.00 +0.052 A ATOM 31 N LIG 1 3.523 -0.217 -2.562 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 4.744 -0.707 -2.266 0.00 0.00 +0.215 A ATOM 33 C LIG 1 5.311 -0.639 -1.002 0.00 0.00 +0.067 A ATOM 34 C LIG 1 4.558 -0.087 0.029 0.00 0.00 +0.007 A ATOM 35 C LIG 1 3.276 0.385 -0.242 0.00 0.00 +0.024 A BRANCH 32 36 ATOM 36 O LIG 1 5.424 -1.255 -3.329 0.00 0.00 -0.473 OA BRANCH 36 37 ATOM 37 C LIG 1 5.906 -2.591 -3.066 0.00 0.00 +0.175 C ATOM 38 C LIG 1 6.412 -3.334 -4.272 0.00 0.00 +0.048 C ATOM 39 C LIG 1 7.384 -2.801 -3.261 0.00 0.00 +0.048 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8