REMARK Name = BDB031833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.485 -2.198 0.955 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.427 -1.020 1.725 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.544 -0.062 1.414 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.479 -0.226 0.401 0.00 0.00 +0.041 A ATOM 5 C LIG 1 2.264 0.971 0.419 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.834 1.807 1.367 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.453 -1.417 -0.347 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.817 1.163 1.951 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.339 1.624 2.717 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.474 -2.381 -0.056 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.018 0.488 -0.385 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.230 -0.661 -0.246 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -3.622 -1.642 0.656 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -3.023 -2.958 1.071 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -1.543 -3.244 1.230 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.007 -3.507 2.079 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.020 -2.574 2.208 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -5.807 -2.706 2.824 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.901 -4.575 2.658 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -2.331 -3.859 0.090 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -4.813 -1.470 1.379 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.624 -0.364 1.250 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.211 0.623 0.354 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.440 1.578 -1.788 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.741 1.545 -1.210 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 3.290 1.164 -0.442 0.00 0.00 -0.279 N ATOM 27 H LIG 1 3.529 0.425 -1.091 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 4.149 2.263 -0.583 0.00 0.00 +0.172 A ATOM 29 C LIG 1 5.174 2.246 -1.526 0.00 0.00 +0.193 A ATOM 30 C LIG 1 6.034 3.318 -1.685 0.00 0.00 +0.115 A ATOM 31 C LIG 1 6.933 2.956 -2.713 0.00 0.00 +0.069 A ATOM 32 C LIG 1 6.566 1.690 -3.114 0.00 0.00 +0.198 A ATOM 33 N LIG 1 5.945 4.446 -0.950 0.00 0.00 -0.214 NA ATOM 34 C LIG 1 4.934 4.390 -0.065 0.00 0.00 +0.225 A ATOM 35 CL LIG 1 4.739 5.781 0.913 0.00 0.00 -0.041 Cl ATOM 36 O LIG 1 5.494 1.246 -2.399 0.00 0.00 -0.458 OA ATOM 37 N LIG 1 4.056 3.397 0.155 0.00 0.00 -0.198 NA ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 4