REMARK Name = BDB051044 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.429 -0.677 1.051 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.124 0.505 0.486 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.659 1.331 -0.346 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -1.968 0.950 -0.586 0.00 0.00 +0.138 A ATOM 5 O LIG 1 -2.588 1.848 -1.401 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -1.680 2.826 -1.684 0.00 0.00 +0.120 A ATOM 7 C LIG 1 -2.560 -0.195 -0.063 0.00 0.00 +0.070 A ATOM 8 C LIG 1 -0.482 2.551 -1.057 0.00 0.00 +0.055 A ATOM 9 C LIG 1 -1.777 -1.024 0.764 0.00 0.00 +0.037 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 1.521 0.916 0.750 0.00 0.00 +0.245 C ATOM 11 N LIG 1 2.327 0.939 -0.362 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.962 0.623 -1.255 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 1.885 1.196 1.883 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 3.753 1.169 -0.287 0.00 0.00 +0.149 C BRANCH 14 15 ATOM 15 C LIG 1 4.481 -0.120 -0.498 0.00 0.00 +0.075 A ATOM 16 C LIG 1 4.332 -0.767 -1.836 0.00 0.00 +0.257 A ATOM 17 O LIG 1 3.638 -0.274 -2.721 0.00 0.00 -0.267 OA ATOM 18 N LIG 1 5.001 -1.951 -2.028 0.00 0.00 -0.326 N ATOM 19 H LIG 1 4.873 -2.379 -2.937 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 5.767 -2.578 -1.073 0.00 0.00 +0.019 A ATOM 21 C LIG 1 6.382 -3.891 -1.441 0.00 0.00 +0.063 C ATOM 22 C LIG 1 5.912 -1.995 0.125 0.00 0.00 +0.067 A ATOM 23 C LIG 1 5.286 -0.720 0.398 0.00 0.00 +0.132 A BRANCH 23 24 ATOM 24 O LIG 1 5.482 -0.231 1.671 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 6.707 0.494 1.769 0.00 0.00 +0.277 C ENDBRANCH 23 24 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 10 BRANCH 1 27 ATOM 26 C LIG 1 1.365 -2.462 1.159 0.00 0.00 +0.009 C ATOM 27 C LIG 1 0.420 -1.565 1.946 0.00 0.00 +0.034 C ENDBRANCH 1 27 BRANCH 6 28 ATOM 28 C LIG 1 -2.145 3.938 -2.561 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -2.034 5.250 -1.902 0.00 0.00 -0.291 NA ATOM 30 C LIG 1 -3.013 5.384 -0.798 0.00 0.00 +0.113 C ATOM 31 C LIG 1 -2.960 6.788 -0.173 0.00 0.00 +0.175 C ATOM 32 O LIG 1 -3.207 7.803 -1.155 0.00 0.00 -0.377 OA ATOM 33 C LIG 1 -2.235 7.713 -2.204 0.00 0.00 +0.175 C ATOM 34 C LIG 1 -2.275 6.333 -2.878 0.00 0.00 +0.113 C ENDBRANCH 28 29 ENDBRANCH 6 28 BRANCH 9 35 ATOM 35 N LIG 1 -2.330 -2.214 1.308 0.00 0.00 -0.327 N BRANCH 35 36 ATOM 36 C LIG 1 -2.269 -3.358 0.353 0.00 0.00 +0.078 C ATOM 37 C LIG 1 -3.539 -3.583 -0.476 0.00 0.00 +0.050 C ATOM 38 C LIG 1 -4.529 -4.546 0.160 0.00 0.00 +0.161 C ATOM 39 O LIG 1 -3.884 -5.746 0.570 0.00 0.00 -0.380 OA ATOM 40 C LIG 1 -2.915 -5.506 1.585 0.00 0.00 +0.161 C ATOM 41 C LIG 1 -1.789 -4.634 1.060 0.00 0.00 +0.050 C ENDBRANCH 35 36 BRANCH 35 42 ATOM 42 C LIG 1 -3.529 -2.014 2.137 0.00 0.00 +0.102 C ATOM 43 C LIG 1 -3.246 -1.137 3.352 0.00 0.00 +0.024 C ENDBRANCH 35 42 ENDBRANCH 9 35 TORSDOF 10