REMARK Name = BDB011165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.786 -0.100 0.006 0.00 0.00 +0.146 A ATOM 2 C LIG 1 2.599 0.642 -0.164 0.00 0.00 +0.114 A ATOM 3 N LIG 1 2.667 1.877 -0.701 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 1.554 2.630 -0.763 0.00 0.00 +0.127 A ATOM 5 C LIG 1 0.310 2.164 -0.396 0.00 0.00 +0.082 A ATOM 6 C LIG 1 0.168 0.847 0.019 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -1.179 0.346 0.142 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -2.271 1.225 0.243 0.00 0.00 +0.332 A ATOM 9 O LIG 1 -3.433 0.825 0.340 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -1.991 2.581 0.166 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -3.114 3.494 0.262 0.00 0.00 +0.157 C ATOM 12 C LIG 1 -0.836 3.067 -0.414 0.00 0.00 +0.266 A ATOM 13 O LIG 1 -0.723 4.184 -0.911 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 1.360 0.091 0.262 0.00 0.00 +0.028 A ATOM 15 C LIG 1 1.409 -1.131 0.977 0.00 0.00 +0.012 A ATOM 16 C LIG 1 2.591 -1.846 1.154 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.777 -1.342 0.647 0.00 0.00 +0.048 A ENDROOT BRANCH 7 18 ATOM 18 C LIG 1 -1.478 -1.060 -0.212 0.00 0.00 +0.092 C ATOM 19 C LIG 1 -2.219 -1.856 0.877 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -3.063 -2.857 0.102 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -3.539 -2.060 -1.099 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -2.331 -1.218 -1.497 0.00 0.00 +0.025 C ENDBRANCH 7 18 BRANCH 1 24 ATOM 23 C LIG 1 6.161 -0.206 -0.339 0.00 0.00 +0.277 C ATOM 24 O LIG 1 4.933 0.491 -0.482 0.00 0.00 -0.493 OA ENDBRANCH 1 24 TORSDOF 2