REMARK Name = BDB026527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.525 2.627 1.098 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -1.349 1.593 0.667 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.346 0.441 1.067 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -2.235 2.123 -0.273 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -2.119 3.563 -0.320 0.00 0.00 +0.128 C ATOM 6 C LIG 1 -0.766 3.835 0.323 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.695 2.388 1.843 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 4.147 1.294 -0.518 0.00 0.00 +0.046 A ATOM 9 C LIG 1 3.095 2.092 -0.979 0.00 0.00 +0.134 A ATOM 10 N LIG 1 1.999 2.453 -0.269 0.00 0.00 -0.256 NA ATOM 11 C LIG 1 1.901 1.998 1.001 0.00 0.00 +0.059 A ATOM 12 C LIG 1 2.917 1.240 1.575 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.043 0.907 0.815 0.00 0.00 +0.026 A BRANCH 8 14 ATOM 14 N LIG 1 5.238 1.060 -1.341 0.00 0.00 -0.340 N ATOM 15 H LIG 1 4.988 1.090 -2.328 0.00 0.00 +0.146 HD BRANCH 14 21 ATOM 16 C LIG 1 10.353 -1.813 1.396 0.00 0.00 +0.109 C ATOM 17 C LIG 1 9.372 -2.329 0.378 0.00 0.00 +0.212 C ATOM 18 N LIG 1 8.211 -1.593 0.175 0.00 0.00 -0.302 N ATOM 19 C LIG 1 7.828 -0.398 0.926 0.00 0.00 +0.109 C ATOM 20 C LIG 1 7.308 0.703 0.011 0.00 0.00 +0.041 C ATOM 21 C LIG 1 6.374 0.170 -1.084 0.00 0.00 +0.073 C ATOM 22 C LIG 1 5.972 -1.290 -0.897 0.00 0.00 +0.041 C ATOM 23 C LIG 1 7.227 -2.147 -0.756 0.00 0.00 +0.109 C ATOM 24 O LIG 1 9.613 -3.362 -0.248 0.00 0.00 -0.276 OA ENDBRANCH 14 21 ENDBRANCH 8 14 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 C LIG 1 -3.396 1.399 -0.777 0.00 0.00 +0.142 C BRANCH 25 26 ATOM 26 C LIG 1 -4.543 1.297 0.251 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -4.187 0.522 1.405 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -3.255 0.236 1.298 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.840 0.743 -0.393 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -5.647 -0.461 -1.228 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.521 -1.693 -0.426 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -6.825 -2.255 0.101 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -8.052 -1.939 -0.510 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -9.234 -2.519 -0.035 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -9.197 -3.422 1.024 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.983 -3.740 1.627 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.100 -0.928 -1.627 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -6.803 -3.163 1.166 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.716 -0.641 -2.222 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 9