REMARK Name = BDB057808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.344 -0.307 -3.096 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -1.038 -0.350 -2.600 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.714 0.138 -1.323 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.767 0.664 -0.559 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -3.091 0.713 -1.038 0.00 0.00 -0.032 A ATOM 6 C LIG 1 -3.367 0.227 -2.319 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.613 0.067 -0.864 0.00 0.00 -0.330 N ATOM 8 C LIG 1 1.581 0.727 -1.758 0.00 0.00 +0.106 C ATOM 9 C LIG 1 2.931 0.965 -1.075 0.00 0.00 +0.038 C ATOM 10 C LIG 1 3.290 -0.225 -0.175 0.00 0.00 +0.060 C ATOM 11 C LIG 1 2.230 -0.350 0.940 0.00 0.00 +0.038 C ATOM 12 C LIG 1 0.864 0.232 0.567 0.00 0.00 +0.106 C BRANCH 10 13 ATOM 13 N LIG 1 4.649 -0.124 0.404 0.00 0.00 -0.299 NA ATOM 14 C LIG 1 5.017 -1.298 1.206 0.00 0.00 +0.085 C ATOM 15 C LIG 1 6.514 -1.127 1.400 0.00 0.00 +0.017 C ATOM 16 C LIG 1 6.983 -0.372 0.165 0.00 0.00 +0.017 C ATOM 17 C LIG 1 5.714 -0.023 -0.600 0.00 0.00 +0.085 C ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 18 ATOM 18 C LIG 1 -4.194 1.318 -0.191 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 -4.266 0.749 1.168 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 -4.755 -0.639 1.169 0.00 0.00 +0.085 C ATOM 21 C LIG 1 -6.274 -0.551 1.153 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -6.597 0.835 1.692 0.00 0.00 +0.017 C ATOM 23 C LIG 1 -5.247 1.468 1.994 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 5 18 TORSDOF 4