REMARK Name = BDB057458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.681 0.585 1.175 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -0.174 -0.305 1.845 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.514 -0.438 1.459 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -2.441 -1.424 2.127 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.707 -2.558 1.299 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -3.462 -2.409 0.161 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -3.836 -1.212 -0.483 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.428 0.130 0.019 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -4.360 1.074 0.311 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -5.853 0.944 0.199 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -4.545 -1.291 -1.698 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.917 -2.523 -2.239 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.566 -3.698 -1.586 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.836 -3.639 -0.400 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.009 0.337 0.399 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.164 1.215 -0.282 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.168 1.349 0.115 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -3.946 2.330 0.971 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -3.644 3.376 0.207 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -3.626 3.449 -0.794 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -3.281 4.361 1.042 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -2.903 5.473 0.710 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -3.402 3.908 2.331 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -3.847 2.551 2.234 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 2.119 0.724 1.616 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 3.388 -0.610 -0.121 0.00 0.00 +0.111 A ATOM 27 N LIG 1 3.064 0.570 0.518 0.00 0.00 -0.323 N ATOM 28 C LIG 1 3.825 1.581 -0.031 0.00 0.00 +0.069 A ATOM 29 C LIG 1 4.590 0.945 -1.004 0.00 0.00 +0.092 A ATOM 30 C LIG 1 5.501 1.685 -1.785 0.00 0.00 -0.023 A ATOM 31 C LIG 1 5.594 3.069 -1.538 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.816 3.688 -0.558 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.357 1.065 -2.850 0.00 0.00 +0.046 C ATOM 34 C LIG 1 3.913 2.957 0.218 0.00 0.00 +0.028 A ATOM 35 N LIG 1 4.307 -0.398 -1.042 0.00 0.00 -0.232 NA BRANCH 26 36 ATOM 36 C LIG 1 2.748 -1.929 0.190 0.00 0.00 +0.074 C BRANCH 36 38 ATOM 37 C LIG 1 2.824 -4.430 -0.107 0.00 0.00 +0.004 C ATOM 38 C LIG 1 3.487 -3.105 -0.451 0.00 0.00 +0.004 C ENDBRANCH 36 38 ENDBRANCH 26 36 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 5