REMARK Name = BDB027855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.423 -0.615 0.213 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -0.210 -1.063 1.539 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.084 -0.943 2.070 0.00 0.00 +0.091 A ATOM 4 C LIG 1 1.254 -1.389 3.373 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.293 -1.929 4.169 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.932 -2.035 3.626 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.120 -0.432 1.374 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.915 -0.011 0.103 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -1.228 -1.625 2.339 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.665 -0.102 -0.501 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 3.103 0.532 -0.586 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.387 0.055 -0.281 0.00 0.00 +0.030 A ATOM 13 C LIG 1 5.486 0.578 -0.945 0.00 0.00 +0.111 A ATOM 14 N LIG 1 5.404 1.540 -1.885 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 4.170 2.005 -2.163 0.00 0.00 +0.111 A ATOM 16 C LIG 1 3.013 1.543 -1.553 0.00 0.00 +0.030 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 17 C LIG 1 -1.719 -1.698 -1.465 0.00 0.00 +0.130 C ATOM 18 N LIG 1 -1.707 -0.718 -0.370 0.00 0.00 -0.327 N BRANCH 18 19 ATOM 19 C LIG 1 -2.523 0.530 -0.521 0.00 0.00 +0.026 C ATOM 20 C LIG 1 -2.220 1.279 -1.829 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.320 1.501 0.664 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -4.016 0.132 -0.512 0.00 0.00 +0.031 C ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 3