REMARK Name = BDB013081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.718 0.090 -0.256 0.00 0.00 +0.046 A ATOM 2 C LIG 1 1.143 0.656 0.915 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -0.212 0.881 0.908 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -0.493 1.442 2.120 0.00 0.00 +0.232 A ATOM 5 N LIG 1 0.605 1.530 2.837 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -1.041 0.567 -0.177 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -0.507 0.040 -1.247 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 1.640 1.036 2.075 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 0.853 -0.192 -1.257 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.844 -0.761 -0.737 0.00 0.00 +0.125 A ATOM 11 N LIG 1 5.183 -0.167 -1.760 0.00 0.00 -0.250 NA ATOM 12 C LIG 1 3.867 0.091 -1.570 0.00 0.00 +0.120 A ATOM 13 C LIG 1 3.155 -0.226 -0.413 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.876 -0.833 0.622 0.00 0.00 +0.012 A ATOM 15 C LIG 1 5.234 -1.109 0.463 0.00 0.00 +0.033 A BRANCH 10 19 ATOM 16 C LIG 1 9.558 -0.903 -0.007 0.00 0.00 +0.128 C ATOM 17 N LIG 1 8.127 -0.809 0.138 0.00 0.00 -0.313 N ATOM 18 H LIG 1 7.768 -0.241 0.895 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 7.302 -1.035 -0.956 0.00 0.00 +0.262 C ATOM 20 O LIG 1 7.721 -1.420 -2.042 0.00 0.00 -0.269 OA ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 6 21 ATOM 21 N LIG 1 -2.391 0.819 -0.086 0.00 0.00 -0.310 N ATOM 22 H LIG 1 -2.816 0.971 0.820 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.317 0.386 -1.114 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -4.716 0.761 -0.703 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -5.528 -0.096 0.033 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -5.259 -1.455 0.563 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -6.679 -1.847 0.975 0.00 0.00 +0.234 C ATOM 28 O LIG 1 -7.453 -0.646 1.190 0.00 0.00 -0.491 OA ATOM 29 C LIG 1 -6.789 0.302 0.456 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -7.298 1.554 0.178 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -6.505 2.429 -0.562 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.226 2.039 -0.995 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 5