REMARK Name = BDB001759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.383 0.986 0.906 0.00 0.00 +0.281 C ATOM 2 N LIG 1 0.799 0.503 0.313 0.00 0.00 -0.162 N ATOM 3 C LIG 1 1.008 -0.161 -0.895 0.00 0.00 +0.219 A ATOM 4 N LIG 1 2.268 -0.498 -0.998 0.00 0.00 -0.190 NA ATOM 5 C LIG 1 2.842 0.028 0.127 0.00 0.00 +0.219 A ATOM 6 N LIG 1 1.999 0.672 0.939 0.00 0.00 -0.137 NA ATOM 7 O LIG 1 -0.288 1.757 1.863 0.00 0.00 -0.265 OA ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -5.761 -0.233 -0.828 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -4.370 0.074 -0.354 0.00 0.00 -0.050 A ATOM 10 C LIG 1 -3.446 -0.960 -0.156 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -2.143 -0.676 0.262 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -1.751 0.651 0.456 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -2.670 1.689 0.272 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -3.971 1.401 -0.144 0.00 0.00 +0.004 A ENDBRANCH 1 12 BRANCH 5 15 ATOM 15 C LIG 1 4.370 -0.107 0.430 0.00 0.00 +0.173 A ATOM 16 O LIG 1 5.273 -0.751 -0.370 0.00 0.00 -0.460 OA ATOM 17 C LIG 1 6.487 -0.651 0.231 0.00 0.00 +0.196 A ATOM 18 C LIG 1 6.386 0.049 1.409 0.00 0.00 +0.042 A ATOM 19 C LIG 1 5.021 0.401 1.539 0.00 0.00 +0.053 A ENDBRANCH 5 15 BRANCH 3 20 ATOM 20 N LIG 1 0.080 -0.405 -1.845 0.00 0.00 -0.327 N ATOM 21 H LIG 1 0.472 -0.735 -2.727 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -0.676 0.255 -2.007 0.00 0.00 +0.145 HD ENDBRANCH 3 20 TORSDOF 3