REMARK Name = BDB032293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.347 -1.140 1.153 0.00 0.00 -0.012 A ATOM 2 C LIG 1 0.610 -1.008 -0.021 0.00 0.00 +0.119 A ATOM 3 N LIG 1 -0.648 -0.510 -0.083 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 -1.205 -0.126 1.083 0.00 0.00 +0.215 A ATOM 5 C LIG 1 -0.566 -0.223 2.308 0.00 0.00 +0.067 A ATOM 6 C LIG 1 0.725 -0.743 2.342 0.00 0.00 +0.012 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.725 -1.744 1.167 0.00 0.00 +0.138 C BRANCH 7 8 ATOM 8 N LIG 1 3.504 -1.406 -0.024 0.00 0.00 -0.339 N ATOM 9 H LIG 1 4.023 -2.214 -0.363 0.00 0.00 +0.146 HD BRANCH 8 16 ATOM 10 C LIG 1 9.078 -1.398 -1.622 0.00 0.00 +0.063 C ATOM 11 C LIG 1 7.827 -0.816 -1.082 0.00 0.00 +0.015 A ATOM 12 N LIG 1 7.759 0.492 -0.663 0.00 0.00 -0.343 N ATOM 13 H LIG 1 8.509 1.167 -0.677 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 6.500 0.780 -0.216 0.00 0.00 +0.140 A ATOM 15 C LIG 1 5.720 -0.364 -0.341 0.00 0.00 +0.040 A ATOM 16 C LIG 1 4.369 -0.300 0.075 0.00 0.00 +0.040 A ATOM 17 C LIG 1 3.937 0.949 0.542 0.00 0.00 +0.043 A ATOM 18 C LIG 1 4.825 2.017 0.609 0.00 0.00 +0.115 A ATOM 19 N LIG 1 6.127 1.983 0.253 0.00 0.00 -0.237 NA ATOM 20 C LIG 1 6.573 -1.368 -0.892 0.00 0.00 +0.034 A ENDBRANCH 8 16 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 O LIG 1 -2.484 0.395 1.103 0.00 0.00 -0.476 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.078 0.479 -0.196 0.00 0.00 +0.234 C BRANCH 22 23 ATOM 23 C LIG 1 -4.487 1.069 -0.054 0.00 0.00 +0.029 C ATOM 24 C LIG 1 -5.122 1.295 -1.431 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -6.566 1.786 -1.306 0.00 0.00 +0.084 C ATOM 26 N LIG 1 -7.421 0.930 -0.476 0.00 0.00 -0.305 NA ATOM 27 C LIG 1 -7.773 -0.320 -1.146 0.00 0.00 +0.104 C ATOM 28 C LIG 1 -6.826 0.705 0.847 0.00 0.00 +0.084 C ATOM 29 C LIG 1 -5.391 0.173 0.807 0.00 0.00 +0.022 C ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 6