REMARK Name = BDB005956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.314 -0.005 1.200 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.812 0.492 -0.013 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -2.556 0.104 -0.485 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -1.752 -0.751 0.276 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -0.395 -1.233 -0.212 0.00 0.00 +0.137 C ATOM 6 N LIG 1 0.562 -1.277 0.911 0.00 0.00 -0.287 N ATOM 7 C LIG 1 0.152 -1.707 2.176 0.00 0.00 +0.221 C ATOM 8 C LIG 1 -1.315 -2.084 2.333 0.00 0.00 +0.131 C ATOM 9 O LIG 1 0.925 -1.815 3.129 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.220 -1.199 1.520 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -3.501 -0.844 1.968 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -0.487 -2.554 -0.991 0.00 0.00 -0.023 A ATOM 13 C LIG 1 0.091 -3.753 -0.534 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.011 -4.933 -1.278 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.688 -4.932 -2.493 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.812 -6.383 -3.408 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.262 -3.760 -2.973 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.159 -2.580 -2.229 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 1.917 -0.716 0.755 0.00 0.00 +0.077 C ATOM 20 C LIG 1 1.888 0.817 0.810 0.00 0.00 +0.024 C ATOM 21 C LIG 1 3.296 1.417 0.881 0.00 0.00 +0.024 C ATOM 22 C LIG 1 4.373 0.547 0.205 0.00 0.00 +0.078 C ATOM 23 C LIG 1 3.786 -0.267 -0.950 0.00 0.00 +0.024 C ATOM 24 C LIG 1 2.678 -1.219 -0.487 0.00 0.00 +0.024 C BRANCH 22 25 ATOM 25 N LIG 1 5.531 1.341 -0.195 0.00 0.00 -0.281 N ATOM 26 C LIG 1 6.471 1.798 0.733 0.00 0.00 +0.303 C ATOM 27 O LIG 1 6.606 1.443 1.889 0.00 0.00 -0.253 OA ATOM 28 N LIG 1 7.249 2.759 0.106 0.00 0.00 -0.298 N ATOM 29 H LIG 1 8.097 3.078 0.554 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 6.947 2.829 -1.295 0.00 0.00 +0.124 C ATOM 31 C LIG 1 5.582 2.160 -1.391 0.00 0.00 +0.128 C ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 33 ATOM 32 C LIG 1 -6.166 -0.225 2.688 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -5.584 0.379 1.540 0.00 0.00 -0.491 OA ENDBRANCH 1 33 BRANCH 2 34 ATOM 34 O LIG 1 -4.543 1.303 -0.846 0.00 0.00 -0.486 OA BRANCH 34 35 ATOM 35 C LIG 1 -4.761 2.613 -0.295 0.00 0.00 +0.167 C ATOM 36 C LIG 1 -3.825 3.590 -1.000 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -6.216 2.987 -0.556 0.00 0.00 +0.051 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 6