REMARK Name = BDB048902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.396 0.147 0.103 0.00 0.00 +0.017 A ATOM 2 C LIG 1 0.766 1.371 0.373 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.626 1.498 0.321 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.429 0.399 -0.008 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -0.803 -0.827 -0.275 0.00 0.00 +0.006 A ATOM 6 C LIG 1 0.591 -0.952 -0.222 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 7.267 -0.831 0.239 0.00 0.00 +0.022 A ATOM 8 C LIG 1 6.090 -1.542 0.013 0.00 0.00 +0.031 A ATOM 9 C LIG 1 4.924 -0.788 0.108 0.00 0.00 +0.086 A ATOM 10 C LIG 1 4.940 0.566 0.406 0.00 0.00 +0.178 A ATOM 11 N LIG 1 3.674 1.078 0.443 0.00 0.00 -0.208 NA ATOM 12 C LIG 1 2.861 0.070 0.173 0.00 0.00 +0.141 A ATOM 13 N LIG 1 6.075 1.264 0.627 0.00 0.00 -0.234 NA ATOM 14 N LIG 1 3.595 -1.080 -0.035 0.00 0.00 -0.337 N ATOM 15 H LIG 1 3.215 -1.987 -0.253 0.00 0.00 +0.167 HD ATOM 16 C LIG 1 7.204 0.529 0.533 0.00 0.00 +0.113 A ENDBRANCH 1 12 BRANCH 4 17 ATOM 17 C LIG 1 -2.942 0.544 -0.051 0.00 0.00 +0.084 C ATOM 18 N LIG 1 -3.500 -0.048 -1.270 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 -3.000 0.315 -2.082 0.00 0.00 +0.123 HD ATOM 20 C LIG 1 -4.933 0.217 -1.419 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -5.674 0.471 -0.102 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -5.086 -0.358 1.030 0.00 0.00 +0.003 C ATOM 23 C LIG 1 -3.586 -0.095 1.196 0.00 0.00 +0.023 C ENDBRANCH 4 17 TORSDOF 2