REMARK Name = BDB057891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.722 -0.467 -0.276 0.00 0.00 +0.131 A ATOM 2 N LIG 1 3.039 -1.132 0.710 0.00 0.00 -0.128 NA ATOM 3 N LIG 1 1.740 -0.996 0.476 0.00 0.00 -0.065 NA ATOM 4 N LIG 1 1.603 -0.232 -0.625 0.00 0.00 -0.246 N ATOM 5 C LIG 1 2.816 0.103 -1.143 0.00 0.00 +0.140 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 0.287 0.053 -1.139 0.00 0.00 +0.128 C ATOM 7 C LIG 1 -0.741 0.375 -0.047 0.00 0.00 +0.134 C ATOM 8 N LIG 1 -1.745 1.197 -0.713 0.00 0.00 -0.299 N ATOM 9 C LIG 1 -2.962 1.608 -0.209 0.00 0.00 +0.216 C ATOM 10 O LIG 1 -3.718 2.319 -0.870 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 -1.310 1.585 -2.041 0.00 0.00 +0.110 C ATOM 12 C LIG 1 0.179 1.279 -2.055 0.00 0.00 +0.047 C BRANCH 9 13 ATOM 13 C LIG 1 -3.273 1.186 1.219 0.00 0.00 +0.100 C BRANCH 13 14 ATOM 14 C LIG 1 -4.717 1.467 1.634 0.00 0.00 +0.044 C BRANCH 14 15 ATOM 15 C LIG 1 -5.673 0.398 1.158 0.00 0.00 -0.047 A ATOM 16 C LIG 1 -5.866 -0.769 1.911 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -6.735 -1.765 1.463 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.418 -1.607 0.259 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.231 -0.452 -0.499 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.362 0.545 -0.052 0.00 0.00 +0.003 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 4 6 BRANCH 1 23 ATOM 21 C LIG 1 7.357 -0.924 0.421 0.00 0.00 +0.062 A ATOM 22 C LIG 1 5.973 -1.026 0.564 0.00 0.00 +0.045 A ATOM 23 C LIG 1 5.169 -0.395 -0.374 0.00 0.00 +0.093 A ATOM 24 N LIG 1 5.674 0.314 -1.419 0.00 0.00 -0.253 NA ATOM 25 C LIG 1 7.017 0.394 -1.529 0.00 0.00 +0.112 A ATOM 26 C LIG 1 7.894 -0.201 -0.644 0.00 0.00 +0.035 A BRANCH 21 28 ATOM 27 O LIG 1 9.509 -1.516 1.308 0.00 0.00 -0.245 OA ATOM 28 C LIG 1 8.294 -1.563 1.371 0.00 0.00 +0.337 C BRANCH 28 29 ATOM 29 O LIG 1 7.666 -2.228 2.354 0.00 0.00 -0.477 OA ATOM 30 H LIG 1 8.391 -2.596 2.901 0.00 0.00 +0.295 HD ENDBRANCH 28 29 ENDBRANCH 21 28 ENDBRANCH 1 23 TORSDOF 7