REMARK Name = BDB064524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.001 -1.461 -1.651 0.00 0.00 +0.045 C ATOM 2 C LIG 1 0.046 -0.110 -0.988 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -1.060 0.373 -0.260 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -0.975 1.643 0.330 0.00 0.00 +0.024 A ATOM 5 C LIG 1 0.179 2.421 0.207 0.00 0.00 +0.015 A ATOM 6 C LIG 1 1.283 1.935 -0.500 0.00 0.00 +0.042 A ATOM 7 C LIG 1 1.207 0.677 -1.107 0.00 0.00 +0.018 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 2.484 2.806 -0.619 0.00 0.00 +0.281 C ATOM 9 N LIG 1 3.812 2.345 -0.690 0.00 0.00 -0.163 N ATOM 10 C LIG 1 4.973 3.076 -0.897 0.00 0.00 +0.219 A ATOM 11 N LIG 1 6.009 2.285 -0.804 0.00 0.00 -0.192 NA ATOM 12 C LIG 1 5.470 1.042 -0.552 0.00 0.00 +0.202 A ATOM 13 N LIG 1 4.126 1.038 -0.479 0.00 0.00 -0.139 NA ATOM 14 O LIG 1 2.309 4.028 -0.628 0.00 0.00 -0.265 OA BRANCH 12 15 ATOM 15 C LIG 1 6.300 -0.161 -0.377 0.00 0.00 +0.110 A ATOM 16 N LIG 1 7.646 -0.009 -0.488 0.00 0.00 -0.252 NA ATOM 17 C LIG 1 8.414 -1.108 -0.330 0.00 0.00 +0.111 A ATOM 18 C LIG 1 7.910 -2.369 -0.063 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.533 -2.514 0.050 0.00 0.00 +0.004 A ATOM 20 C LIG 1 5.714 -1.398 -0.109 0.00 0.00 +0.031 A ENDBRANCH 12 15 BRANCH 10 21 ATOM 21 N LIG 1 5.003 4.398 -1.160 0.00 0.00 -0.327 N ATOM 22 H LIG 1 4.180 4.962 -0.938 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 5.887 4.874 -1.014 0.00 0.00 +0.145 HD ENDBRANCH 10 21 ENDBRANCH 6 8 BRANCH 3 24 ATOM 24 N LIG 1 -2.207 -0.429 -0.132 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -3.474 0.185 -0.593 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -4.483 0.420 0.555 0.00 0.00 +0.103 C ATOM 27 N LIG 1 -4.774 -0.752 1.405 0.00 0.00 -0.297 NA ATOM 28 C LIG 1 -3.674 -1.740 1.379 0.00 0.00 +0.103 C ATOM 29 C LIG 1 -2.286 -1.090 1.190 0.00 0.00 +0.120 C BRANCH 27 30 ATOM 30 C LIG 1 -6.096 -1.374 1.232 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -6.458 -1.749 -0.210 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -7.183 -0.475 1.835 0.00 0.00 +0.024 C ENDBRANCH 27 30 ENDBRANCH 3 24 TORSDOF 5