REMARK Name = BDB038995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.423 1.460 -0.296 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.527 0.412 -0.186 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.109 0.750 -0.124 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.176 -0.422 -0.303 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.655 -1.745 -0.436 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.767 -2.813 -0.616 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.383 -2.616 -0.647 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.914 -1.306 -0.495 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.346 -0.737 -0.488 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -0.199 0.618 -0.230 0.00 0.00 +0.142 A ATOM 11 N LIG 1 1.079 0.939 -0.180 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 5.142 -2.003 -0.443 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.778 -0.230 -0.321 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.909 -0.909 0.295 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.097 2.625 -0.495 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.289 1.578 -0.066 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -2.186 1.478 1.004 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -3.228 2.398 1.143 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.382 3.442 0.221 0.00 0.00 -0.037 A ATOM 20 C LIG 1 -2.465 3.558 -0.832 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.425 2.634 -0.971 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 C LIG 1 -4.505 4.442 0.373 0.00 0.00 +0.155 C BRANCH 22 23 ATOM 23 C LIG 1 -4.279 5.465 1.459 0.00 0.00 +0.309 C ATOM 24 O LIG 1 -3.494 5.420 2.391 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.122 6.515 1.343 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.880 7.089 2.101 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 8.672 2.114 -0.278 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.718 1.058 -0.163 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -1.618 -1.420 -0.749 0.00 0.00 +0.091 C ATOM 30 C LIG 1 -1.641 -2.083 -2.132 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -1.979 -2.381 0.401 0.00 0.00 +0.060 C BRANCH 31 32 ATOM 32 C LIG 1 -3.408 -2.869 0.349 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -3.699 -4.177 -0.059 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.020 -4.622 -0.119 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.062 -3.765 0.229 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.785 -2.462 0.638 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.464 -2.015 0.698 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 9 29 TORSDOF 8