REMARK Name = BDB004776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.942 3.179 1.030 0.00 0.00 +0.099 C ATOM 2 C LIG 1 1.448 4.284 1.962 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -1.649 0.369 1.369 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.853 1.403 0.852 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.100 2.073 1.648 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.238 1.676 2.983 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.551 0.652 3.506 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.491 0.003 2.704 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 -3.396 -1.316 0.751 0.00 0.00 +0.248 C ATOM 10 N LIG 1 -2.578 -0.230 0.492 0.00 0.00 -0.281 N ATOM 11 H LIG 1 -2.592 0.134 -0.451 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -3.418 -1.999 1.767 0.00 0.00 -0.270 OA BRANCH 9 18 ATOM 13 C LIG 1 -6.900 -2.852 -3.615 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -5.993 -2.470 -2.476 0.00 0.00 -0.047 A ATOM 15 C LIG 1 -5.366 -3.450 -1.679 0.00 0.00 -0.047 A ATOM 16 C LIG 1 -5.580 -4.918 -1.925 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -4.529 -3.046 -0.626 0.00 0.00 +0.016 A ATOM 18 C LIG 1 -4.301 -1.689 -0.372 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -4.936 -0.720 -1.153 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -5.773 -1.111 -2.199 0.00 0.00 +0.004 A ENDBRANCH 9 18 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 1.988 2.649 0.142 0.00 0.00 -0.322 N ATOM 22 H LIG 1 1.571 2.029 -0.547 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.123 1.996 0.659 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.109 1.523 -0.237 0.00 0.00 +0.041 A ATOM 25 C LIG 1 5.209 0.847 0.327 0.00 0.00 +0.088 A ATOM 26 C LIG 1 6.194 0.353 -0.554 0.00 0.00 +0.063 A ATOM 27 C LIG 1 6.093 0.539 -1.947 0.00 0.00 +0.015 A ATOM 28 C LIG 1 5.018 1.222 -2.490 0.00 0.00 +0.002 A ATOM 29 N LIG 1 5.300 0.691 1.666 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 4.325 1.206 2.422 0.00 0.00 +0.223 A ATOM 31 C LIG 1 4.035 1.711 -1.641 0.00 0.00 +0.013 A ATOM 32 N LIG 1 3.250 1.856 1.983 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 7.408 -0.394 -0.094 0.00 0.00 +0.244 C ATOM 34 O LIG 1 8.258 -0.789 -0.886 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 7.558 -0.636 1.239 0.00 0.00 -0.325 N ATOM 36 H LIG 1 8.384 -1.119 1.561 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 6.879 -0.289 1.910 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6