REMARK Name = BDB016724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.640 1.771 -2.136 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.016 1.356 -3.328 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.667 0.985 -3.287 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.899 1.025 -2.131 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.402 0.578 -2.530 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.418 0.255 -3.835 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.515 1.446 -0.938 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.823 0.529 -4.260 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.038 0.373 -5.238 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.868 1.819 -0.963 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.121 -1.921 0.325 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.106 -0.918 -0.656 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.909 0.203 -0.500 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.143 1.432 -1.332 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.092 2.191 -2.117 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.195 2.198 -0.565 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.475 1.471 0.579 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.155 1.769 1.260 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.689 3.259 -0.909 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.151 1.376 -2.833 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.731 0.290 0.632 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.775 -0.675 1.615 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.953 -1.794 1.454 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.221 -4.006 1.040 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.286 -2.974 0.065 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.607 0.441 -1.711 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.456 -0.655 -1.884 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.608 -0.794 -1.099 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -3.955 0.148 -0.116 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.109 1.258 0.021 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -1.952 1.404 -0.760 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -5.124 -0.034 0.640 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -5.651 1.119 1.398 0.00 0.00 +0.123 C ATOM 34 C LIG 1 -7.061 0.804 1.969 0.00 0.00 +0.068 C ATOM 35 C LIG 1 -7.567 1.976 2.809 0.00 0.00 +0.025 C ATOM 36 N LIG 1 -7.080 -0.419 2.804 0.00 0.00 -0.308 NA ATOM 37 H LIG 1 -6.450 -0.281 3.594 0.00 0.00 +0.123 HD ATOM 38 C LIG 1 -6.576 -1.554 1.995 0.00 0.00 +0.068 C ATOM 39 C LIG 1 -6.572 -2.809 2.867 0.00 0.00 +0.025 C ATOM 40 C LIG 1 -5.160 -1.304 1.404 0.00 0.00 +0.123 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4