REMARK Name = BDB034922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.733 -0.397 1.586 0.00 0.00 +0.130 A ATOM 2 N LIG 1 2.109 0.011 0.308 0.00 0.00 -0.252 N ATOM 3 C LIG 1 1.230 0.372 -0.756 0.00 0.00 +0.346 C ATOM 4 O LIG 1 1.743 0.703 -1.819 0.00 0.00 -0.247 OA ATOM 5 C LIG 1 3.509 0.001 0.255 0.00 0.00 +0.077 A ATOM 6 C LIG 1 3.975 -0.394 1.507 0.00 0.00 +0.090 A ATOM 7 N LIG 1 5.286 -0.512 1.821 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 6.142 -0.216 0.825 0.00 0.00 +0.111 A ATOM 9 C LIG 1 5.778 0.183 -0.450 0.00 0.00 +0.022 A ATOM 10 C LIG 1 4.427 0.302 -0.763 0.00 0.00 +0.030 A ATOM 11 C LIG 1 2.867 -0.638 2.333 0.00 0.00 +0.067 A ENDROOT BRANCH 3 12 ATOM 12 N LIG 1 -0.127 0.401 -0.580 0.00 0.00 -0.136 NA ATOM 13 C LIG 1 -0.835 -0.578 -1.047 0.00 0.00 +0.172 A ATOM 14 N LIG 1 -2.227 -0.747 -1.011 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -2.650 -1.970 -1.520 0.00 0.00 +0.100 A ATOM 16 C LIG 1 -1.690 -2.781 -1.980 0.00 0.00 +0.066 A ATOM 17 S LIG 1 -0.118 -2.056 -1.807 0.00 0.00 -0.060 S BRANCH 14 18 ATOM 18 C LIG 1 -3.129 0.230 -0.495 0.00 0.00 +0.048 A ATOM 19 C LIG 1 -4.300 -0.148 0.189 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -5.194 0.806 0.687 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.938 2.161 0.508 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.789 2.562 -0.166 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.895 1.606 -0.660 0.00 0.00 +0.026 A ENDBRANCH 14 18 ENDBRANCH 3 12 BRANCH 1 25 ATOM 24 N LIG 1 -0.672 -0.744 2.461 0.00 0.00 -0.189 NA ATOM 25 C LIG 1 0.402 -0.565 2.060 0.00 0.00 +0.118 C ENDBRANCH 1 25 TORSDOF 3