REMARK Name = BDB008384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.626 -1.568 -0.163 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -0.705 -1.133 -0.090 0.00 0.00 +0.144 A ATOM 3 C LIG 1 -1.758 -1.980 -0.457 0.00 0.00 +0.075 A ATOM 4 C LIG 1 -1.530 -3.239 -0.985 0.00 0.00 +0.075 A ATOM 5 C LIG 1 -0.196 -3.667 -1.117 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.031 -4.940 -1.658 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -1.044 -5.733 -2.041 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.316 -5.223 -1.868 0.00 0.00 +0.111 A ATOM 9 N LIG 1 -2.575 -4.002 -1.352 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 0.864 -2.836 -0.704 0.00 0.00 +0.037 A ENDROOT BRANCH 1 13 ATOM 11 O LIG 1 3.463 -2.180 0.327 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 2.984 -1.067 0.523 0.00 0.00 +0.251 C ATOM 13 N LIG 1 1.659 -0.727 0.321 0.00 0.00 -0.278 N ATOM 14 H LIG 1 1.371 0.197 0.633 0.00 0.00 +0.155 HD BRANCH 12 15 ATOM 15 C LIG 1 3.838 0.002 1.053 0.00 0.00 +0.070 A ATOM 16 C LIG 1 3.592 1.417 1.085 0.00 0.00 +0.093 A ATOM 17 C LIG 1 4.654 2.125 1.647 0.00 0.00 +0.056 A ATOM 18 C LIG 1 4.575 3.506 1.734 0.00 0.00 +0.129 A ATOM 19 N LIG 1 3.485 4.136 1.259 0.00 0.00 -0.243 NA ATOM 20 C LIG 1 2.513 3.381 0.729 0.00 0.00 +0.221 A ATOM 21 S LIG 1 5.919 1.087 2.142 0.00 0.00 -0.093 S ATOM 22 N LIG 1 2.477 2.044 0.618 0.00 0.00 -0.234 NA ATOM 23 C LIG 1 5.083 -0.289 1.590 0.00 0.00 +0.061 A ENDBRANCH 12 15 ENDBRANCH 1 13 BRANCH 2 24 ATOM 24 O LIG 1 -1.051 0.077 0.459 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -0.973 1.174 -0.472 0.00 0.00 +0.174 C ATOM 26 C LIG 1 -1.008 2.455 0.377 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -2.362 2.676 1.050 0.00 0.00 +0.035 C ATOM 28 C LIG 1 -3.502 2.669 0.036 0.00 0.00 +0.115 C ATOM 29 C LIG 1 -3.490 1.401 -0.813 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -2.133 1.191 -1.482 0.00 0.00 +0.047 C BRANCH 28 31 ATOM 31 O LIG 1 -4.747 2.781 0.715 0.00 0.00 -0.392 OA ATOM 32 H LIG 1 -4.847 2.002 1.290 0.00 0.00 +0.210 HD ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 5