REMARK Name = BDB023990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.598 1.925 0.713 0.00 0.00 +0.003 A ATOM 2 C LIG 1 0.400 1.484 1.592 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.302 2.401 2.143 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.197 3.763 1.848 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.221 4.204 0.955 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.668 3.287 0.386 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -5.885 4.181 0.559 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -6.302 2.745 0.357 0.00 0.00 +0.213 C ATOM 9 N LIG 1 -5.289 1.798 0.255 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -3.893 2.101 0.627 0.00 0.00 +0.146 C ATOM 11 C LIG 1 -2.967 1.054 0.113 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -1.551 0.969 0.157 0.00 0.00 +0.098 A ATOM 13 N LIG 1 -1.135 -0.190 -0.376 0.00 0.00 -0.170 NA ATOM 14 N LIG 1 -2.250 -0.816 -0.802 0.00 0.00 -0.262 N ATOM 15 C LIG 1 -3.379 -0.117 -0.490 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -4.801 -0.465 -0.734 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -5.686 0.377 0.207 0.00 0.00 +0.114 C ATOM 18 O LIG 1 -7.497 2.458 0.277 0.00 0.00 -0.276 OA BRANCH 14 19 ATOM 19 C LIG 1 -2.087 -2.078 -1.494 0.00 0.00 +0.135 C ATOM 20 C LIG 1 -2.594 -2.072 -2.927 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -3.190 -3.357 -3.157 0.00 0.00 -0.378 OA ATOM 22 C LIG 1 -3.689 -3.818 -1.900 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -2.755 -3.277 -0.839 0.00 0.00 +0.057 C ENDBRANCH 14 19 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 C LIG 1 2.308 1.964 3.133 0.00 0.00 +0.250 C ATOM 25 N LIG 1 3.219 0.971 2.861 0.00 0.00 -0.252 N ATOM 26 H LIG 1 3.765 0.692 3.661 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.288 2.478 4.253 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 3.588 0.541 1.610 0.00 0.00 +0.202 A ATOM 29 N LIG 1 4.520 -0.460 1.413 0.00 0.00 -0.315 N ATOM 30 C LIG 1 5.136 -1.256 2.449 0.00 0.00 +0.152 C ATOM 31 C LIG 1 4.712 -0.609 0.053 0.00 0.00 +0.070 A ATOM 32 C LIG 1 3.833 0.297 -0.506 0.00 0.00 +0.140 A ATOM 33 N LIG 1 3.167 1.004 0.457 0.00 0.00 -0.222 NA BRANCH 31 34 ATOM 34 C LIG 1 5.623 -1.546 -0.590 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.003 -1.469 -0.366 0.00 0.00 +0.010 A ATOM 36 C LIG 1 7.871 -2.369 -0.988 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.365 -3.349 -1.841 0.00 0.00 +0.000 A ATOM 38 C LIG 1 5.993 -3.426 -2.077 0.00 0.00 +0.001 A ATOM 39 C LIG 1 5.125 -2.526 -1.456 0.00 0.00 +0.010 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 5