REMARK Name = BDB053367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.054 -0.798 -2.489 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -0.148 0.244 -2.717 0.00 0.00 -0.294 N ATOM 3 O LIG 1 -0.841 -1.946 -2.888 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 -1.908 -0.621 -0.141 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -2.294 -0.488 -1.638 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -3.491 -1.368 -2.056 0.00 0.00 +0.094 C ATOM 7 N LIG 1 -4.067 -2.186 -0.985 0.00 0.00 -0.315 NA ATOM 8 H LIG 1 -4.519 -1.597 -0.286 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 -3.012 -2.966 -0.355 0.00 0.00 +0.081 C ATOM 10 C LIG 1 -1.958 -2.096 0.330 0.00 0.00 +0.024 C BRANCH 4 16 ATOM 11 C LIG 1 -4.374 2.856 3.777 0.00 0.00 +0.152 C ATOM 12 N LIG 1 -3.810 1.992 2.753 0.00 0.00 -0.318 N ATOM 13 C LIG 1 -4.475 1.846 1.541 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -5.530 2.399 1.240 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.828 0.941 0.547 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -2.675 0.302 0.817 0.00 0.00 -0.037 A ATOM 17 C LIG 1 -2.050 0.540 2.110 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -2.617 1.347 3.014 0.00 0.00 +0.089 A ENDBRANCH 4 16 ENDBRANCH 1 5 BRANCH 2 19 ATOM 19 C LIG 1 -0.305 1.590 -2.207 0.00 0.00 +0.077 C ATOM 20 C LIG 1 0.080 2.809 -3.011 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -1.361 2.526 -2.745 0.00 0.00 +0.024 C ENDBRANCH 2 19 BRANCH 2 22 ATOM 22 C LIG 1 1.153 -0.103 -3.300 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 2.156 -0.322 -2.206 0.00 0.00 -0.002 A ATOM 24 C LIG 1 3.227 0.551 -1.828 0.00 0.00 +0.040 A ATOM 25 C LIG 1 3.913 -0.050 -0.764 0.00 0.00 +0.052 A ATOM 26 C LIG 1 5.027 0.561 -0.162 0.00 0.00 +0.026 A ATOM 27 C LIG 1 5.453 1.803 -0.647 0.00 0.00 +0.005 A ATOM 28 C LIG 1 4.792 2.417 -1.704 0.00 0.00 +0.039 A ATOM 29 N LIG 1 3.283 -1.251 -0.507 0.00 0.00 -0.342 N ATOM 30 C LIG 1 3.690 1.800 -2.293 0.00 0.00 +0.133 A ATOM 31 F LIG 1 3.084 2.412 -3.321 0.00 0.00 -0.205 F ATOM 32 C LIG 1 2.239 -1.428 -1.379 0.00 0.00 +0.092 A BRANCH 29 33 ATOM 33 C LIG 1 3.692 -2.239 0.487 0.00 0.00 +0.157 C BRANCH 33 34 ATOM 34 C LIG 1 3.129 -1.931 1.853 0.00 0.00 -0.025 A ATOM 35 C LIG 1 1.762 -2.101 2.115 0.00 0.00 +0.043 A ATOM 36 C LIG 1 1.252 -1.814 3.377 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -0.058 -1.974 3.608 0.00 0.00 -0.205 F ATOM 38 C LIG 1 2.076 -1.360 4.398 0.00 0.00 +0.038 A ATOM 39 C LIG 1 3.437 -1.192 4.154 0.00 0.00 +0.003 A ATOM 40 C LIG 1 3.961 -1.477 2.889 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7