REMARK Name = BDB054159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.065 -1.846 1.364 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.262 -0.555 1.874 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.190 0.218 2.343 0.00 0.00 +0.045 A ATOM 4 CL LIG 1 0.594 1.794 2.925 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -1.121 -0.283 2.312 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -1.302 -1.602 1.848 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.229 -2.371 1.390 0.00 0.00 +0.009 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.381 0.496 2.687 0.00 0.00 +0.042 C ATOM 9 C LIG 1 -2.645 1.761 1.818 0.00 0.00 +0.029 C ATOM 10 C LIG 1 -3.961 2.427 2.268 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.951 2.697 3.772 0.00 0.00 +0.081 C ATOM 12 N LIG 1 -3.736 1.468 4.535 0.00 0.00 -0.315 NA ATOM 13 H LIG 1 -3.743 1.685 5.532 0.00 0.00 +0.122 HD ATOM 14 C LIG 1 -2.456 0.837 4.190 0.00 0.00 +0.089 C BRANCH 9 15 ATOM 15 C LIG 1 -2.632 1.474 0.321 0.00 0.00 -0.037 A ATOM 16 C LIG 1 -3.537 0.696 -0.300 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -3.445 0.415 -1.761 0.00 0.00 +0.251 A ATOM 18 O LIG 1 -4.289 -0.311 -2.280 0.00 0.00 -0.268 OA ATOM 19 N LIG 1 -2.377 1.008 -2.427 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -2.212 0.794 -3.856 0.00 0.00 +0.152 C ATOM 21 C LIG 1 -1.460 1.810 -1.775 0.00 0.00 +0.089 A ATOM 22 C LIG 1 -1.557 2.054 -0.463 0.00 0.00 +0.022 A ENDBRANCH 9 15 ENDBRANCH 5 8 BRANCH 1 24 ATOM 23 C LIG 1 2.313 -2.917 -0.568 0.00 0.00 -0.038 A ATOM 24 C LIG 1 2.192 -2.611 0.810 0.00 0.00 -0.015 A ATOM 25 C LIG 1 3.204 -3.049 1.688 0.00 0.00 +0.009 A ATOM 26 C LIG 1 4.306 -3.770 1.228 0.00 0.00 +0.001 A ATOM 27 C LIG 1 4.419 -4.069 -0.124 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.432 -3.648 -1.013 0.00 0.00 +0.004 A BRANCH 23 29 ATOM 29 C LIG 1 1.292 -2.483 -1.608 0.00 0.00 +0.054 C BRANCH 29 30 ATOM 30 C LIG 1 1.284 -0.984 -1.915 0.00 0.00 +0.109 C BRANCH 30 32 ATOM 31 C LIG 1 2.631 0.701 -3.100 0.00 0.00 +0.213 C ATOM 32 N LIG 1 2.553 -0.508 -2.439 0.00 0.00 -0.315 N ATOM 33 H LIG 1 3.392 -0.837 -1.975 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 1.650 1.369 -3.410 0.00 0.00 -0.276 OA BRANCH 31 36 ATOM 35 C LIG 1 4.138 2.425 -4.156 0.00 0.00 +0.013 C ATOM 36 C LIG 1 4.059 1.106 -3.408 0.00 0.00 +0.092 C ENDBRANCH 31 36 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 1 24 TORSDOF 7