REMARK Name = BDB048115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.986 -1.940 1.793 0.00 0.00 -0.476 OA ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -3.969 -0.763 -0.796 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -2.657 -0.309 -0.913 0.00 0.00 +0.118 A ATOM 4 N LIG 1 -1.654 -0.664 -0.079 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 -1.961 -1.519 0.914 0.00 0.00 +0.215 A ATOM 6 C LIG 1 -3.228 -2.044 1.107 0.00 0.00 +0.067 A ATOM 7 C LIG 1 -4.247 -1.657 0.240 0.00 0.00 +0.010 A BRANCH 2 8 ATOM 8 C LIG 1 -5.045 -0.308 -1.752 0.00 0.00 +0.079 C BRANCH 8 9 ATOM 9 C LIG 1 -5.353 1.195 -1.615 0.00 0.00 +0.230 C BRANCH 9 11 ATOM 10 C LIG 1 -4.434 3.310 -2.203 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -4.395 1.902 -2.405 0.00 0.00 -0.368 OA ENDBRANCH 9 11 BRANCH 9 12 ATOM 12 C LIG 1 -6.820 1.411 -2.031 0.00 0.00 +0.334 C ATOM 13 O LIG 1 -7.191 1.865 -3.103 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 -7.706 1.052 -1.067 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 -7.307 0.736 -0.234 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 C LIG 1 0.280 -1.285 1.643 0.00 0.00 +0.237 C BRANCH 16 17 ATOM 17 C LIG 1 1.130 -1.953 0.563 0.00 0.00 +0.100 C BRANCH 17 18 ATOM 18 C LIG 1 2.562 -1.564 0.648 0.00 0.00 +0.086 A ATOM 19 C LIG 1 3.678 -2.357 0.814 0.00 0.00 +0.126 A ATOM 20 C LIG 1 3.913 -3.803 0.961 0.00 0.00 +0.088 C ATOM 21 O LIG 1 4.774 -1.542 0.826 0.00 0.00 -0.440 OA ATOM 22 C LIG 1 4.263 -0.279 0.666 0.00 0.00 +0.228 A ATOM 23 N LIG 1 2.948 -0.245 0.560 0.00 0.00 -0.214 NA BRANCH 22 24 ATOM 24 C LIG 1 5.220 0.824 0.640 0.00 0.00 +0.037 A ATOM 25 C LIG 1 4.758 2.138 0.468 0.00 0.00 +0.013 A ATOM 26 C LIG 1 5.648 3.214 0.439 0.00 0.00 +0.001 A ATOM 27 C LIG 1 7.016 2.989 0.582 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.493 1.691 0.753 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.601 0.615 0.782 0.00 0.00 +0.013 A ENDBRANCH 22 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10