REMARK Name = BDB000857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.879 -0.100 1.268 0.00 0.00 +0.159 C ATOM 2 C LIG 1 1.611 -0.243 0.410 0.00 0.00 +0.237 C ATOM 3 O LIG 1 1.327 0.618 -0.432 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.778 -1.315 0.646 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.013 -2.506 1.474 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -0.184 -3.422 1.142 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.615 -2.989 -0.251 0.00 0.00 +0.034 C ATOM 8 C LIG 1 1.065 -2.275 2.997 0.00 0.00 +0.022 C ATOM 9 C LIG 1 2.466 -2.030 3.562 0.00 0.00 +0.002 C ATOM 10 C LIG 1 2.844 -0.565 3.780 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -0.393 -1.482 -0.212 0.00 0.00 +0.162 C ATOM 12 C LIG 1 2.484 0.404 2.658 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.744 0.442 -0.256 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.746 0.872 0.597 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.266 1.724 0.328 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 5.133 -0.727 -0.281 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.412 1.558 -1.104 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.402 2.293 -1.980 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 7.644 1.741 -2.055 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.432 0.940 -1.984 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 6.658 0.018 -1.594 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 11 22 ATOM 22 C LIG 1 -1.622 -0.745 0.363 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -2.655 -0.610 -0.545 0.00 0.00 -0.303 N ATOM 24 H LIG 1 -2.415 -0.642 -1.526 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -1.703 -0.380 1.534 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.842 0.167 -0.220 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 -5.132 -0.487 -0.722 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -6.366 0.127 -0.432 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -7.570 -0.434 -0.863 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.564 -1.625 -1.582 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.356 -2.257 -1.867 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.150 -1.696 -1.438 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -3.631 1.592 -0.727 0.00 0.00 -0.023 A ATOM 34 C LIG 1 -3.881 1.951 -2.063 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -3.648 3.255 -2.505 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.148 4.213 -1.624 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.878 3.868 -0.302 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.113 2.566 0.143 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 11 22 TORSDOF 7