REMARK Name = BDB017218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.350 -0.289 -3.004 0.00 0.00 -0.292 OA ATOM 2 C LIG 1 0.201 -0.476 -1.794 0.00 0.00 +0.167 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.413 -0.431 -0.926 0.00 0.00 +0.018 A ATOM 4 C LIG 1 2.441 0.448 -1.293 0.00 0.00 +0.015 A ATOM 5 C LIG 1 3.602 0.539 -0.519 0.00 0.00 -0.044 A ATOM 6 C LIG 1 4.743 1.443 -0.901 0.00 0.00 +0.035 C ATOM 7 C LIG 1 5.322 2.152 0.324 0.00 0.00 +0.005 C ATOM 8 C LIG 1 5.473 1.270 1.573 0.00 0.00 +0.005 C ATOM 9 C LIG 1 5.038 -0.186 1.390 0.00 0.00 +0.035 C ATOM 10 C LIG 1 3.749 -0.273 0.617 0.00 0.00 -0.044 A ATOM 11 C LIG 1 2.739 -1.172 0.964 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.573 -1.250 0.197 0.00 0.00 +0.011 A ENDBRANCH 2 3 BRANCH 2 13 ATOM 13 C LIG 1 -1.190 -0.750 -1.228 0.00 0.00 +0.074 C ATOM 14 C LIG 1 -1.488 -0.014 0.085 0.00 0.00 +0.096 C ATOM 15 N LIG 1 -2.845 -0.241 0.610 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 -3.509 -1.448 0.115 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -2.506 -2.588 -0.076 0.00 0.00 +0.016 C ATOM 18 C LIG 1 -1.494 -2.250 -1.169 0.00 0.00 +0.014 C BRANCH 15 19 ATOM 19 C LIG 1 -3.616 1.012 0.669 0.00 0.00 +0.057 C ATOM 20 C LIG 1 -4.330 1.370 -0.646 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -5.660 0.879 -0.041 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -4.989 0.839 1.345 0.00 0.00 +0.019 C ENDBRANCH 15 19 ENDBRANCH 2 13 TORSDOF 3