REMARK Name = BDB017577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.939 -3.560 -1.400 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.858 -2.411 -1.041 0.00 0.00 -0.031 A ATOM 3 C LIG 1 -2.349 -2.259 0.255 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -3.180 -1.180 0.577 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -3.537 -0.196 -0.369 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -4.342 0.960 0.135 0.00 0.00 +0.045 A ATOM 7 N LIG 1 -4.478 2.105 -0.651 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -3.645 2.276 -1.209 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -5.031 3.339 -0.103 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -6.191 3.008 0.824 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -5.739 2.033 1.913 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -4.881 0.920 1.371 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -4.590 -0.197 2.303 0.00 0.00 +0.254 A ATOM 14 O LIG 1 -5.086 -0.256 3.425 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.129 -0.409 -1.708 0.00 0.00 -0.039 A ATOM 16 C LIG 1 -3.566 0.441 -2.873 0.00 0.00 +0.044 C ATOM 17 N LIG 1 -3.700 -1.134 1.875 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -3.496 -1.871 2.534 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -2.275 -1.494 -2.013 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 N LIG 1 2.230 -1.194 -0.099 0.00 0.00 -0.326 N ATOM 21 C LIG 1 2.351 -2.608 0.303 0.00 0.00 +0.120 C ATOM 22 C LIG 1 0.979 -3.303 0.140 0.00 0.00 +0.103 C ATOM 23 N LIG 1 0.498 -3.326 -1.251 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 1.059 -2.241 -2.071 0.00 0.00 +0.103 C ATOM 25 C LIG 1 1.425 -0.941 -1.314 0.00 0.00 +0.120 C BRANCH 20 30 ATOM 26 C LIG 1 5.630 1.205 0.647 0.00 0.00 +0.038 A ATOM 27 C LIG 1 5.634 0.368 -0.474 0.00 0.00 +0.035 A ATOM 28 C LIG 1 4.527 -0.441 -0.760 0.00 0.00 +0.063 A ATOM 29 CL LIG 1 4.643 -1.444 -2.165 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 3.390 -0.432 0.075 0.00 0.00 +0.048 A ATOM 31 C LIG 1 3.421 0.400 1.208 0.00 0.00 +0.025 A ATOM 32 C LIG 1 4.523 1.209 1.498 0.00 0.00 +0.015 A BRANCH 26 36 ATOM 33 C LIG 1 7.703 4.147 1.808 0.00 0.00 +0.128 C ATOM 34 N LIG 1 6.623 3.213 1.610 0.00 0.00 -0.314 N ATOM 35 H LIG 1 5.679 3.562 1.705 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 6.832 2.043 0.908 0.00 0.00 +0.244 C ATOM 37 O LIG 1 7.926 1.698 0.477 0.00 0.00 -0.270 OA ENDBRANCH 26 36 ENDBRANCH 20 30 ENDBRANCH 1 23 TORSDOF 4