REMARK Name = BDB065356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.016 -0.924 1.124 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -3.881 -0.230 1.982 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -5.266 -0.252 1.781 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -5.817 -0.972 0.715 0.00 0.00 -0.028 A ATOM 5 C LIG 1 -4.956 -1.667 -0.145 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -3.572 -1.643 0.058 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 0.558 -1.135 1.269 0.00 0.00 -0.251 N ATOM 8 N LIG 1 0.312 -0.336 2.318 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 -1.002 -0.168 2.385 0.00 0.00 -0.130 NA ATOM 10 C LIG 1 -1.583 -0.877 1.361 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -0.592 -1.504 0.637 0.00 0.00 +0.138 A BRANCH 7 12 ATOM 12 C LIG 1 1.917 -1.508 0.934 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 C LIG 1 2.632 -0.411 0.147 0.00 0.00 +0.023 C BRANCH 13 14 ATOM 14 C LIG 1 4.006 -0.836 -0.380 0.00 0.00 +0.002 C BRANCH 14 15 ATOM 15 C LIG 1 5.023 -1.112 0.731 0.00 0.00 +0.001 C BRANCH 15 16 ATOM 16 C LIG 1 6.399 -1.542 0.205 0.00 0.00 +0.011 C BRANCH 16 17 ATOM 17 C LIG 1 7.157 -0.469 -0.578 0.00 0.00 +0.120 C BRANCH 17 18 ATOM 18 C LIG 1 7.559 0.712 0.276 0.00 0.00 +0.307 C ATOM 19 O LIG 1 7.690 0.690 1.491 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 7.788 1.793 -0.522 0.00 0.00 -0.465 OA BRANCH 20 22 ATOM 21 C LIG 1 9.695 3.011 0.339 0.00 0.00 +0.048 C ATOM 22 C LIG 1 8.190 2.994 0.154 0.00 0.00 +0.229 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 -7.311 -0.988 0.480 0.00 0.00 +0.161 C BRANCH 23 24 ATOM 24 N LIG 1 -7.705 -0.157 -0.656 0.00 0.00 -0.292 N ATOM 25 C LIG 1 -7.968 -0.773 -1.888 0.00 0.00 +0.351 A ATOM 26 O LIG 1 -7.890 -1.993 -2.018 0.00 0.00 -0.244 OA ATOM 27 N LIG 1 -8.325 0.020 -2.959 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 -8.383 1.311 -2.822 0.00 0.00 +0.159 A ATOM 29 C LIG 1 -8.099 1.984 -1.535 0.00 0.00 +0.179 A ATOM 30 F LIG 1 -8.200 3.323 -1.475 0.00 0.00 -0.200 F ATOM 31 C LIG 1 -7.771 1.213 -0.506 0.00 0.00 +0.132 A BRANCH 28 32 ATOM 32 N LIG 1 -8.734 2.040 -3.928 0.00 0.00 -0.341 N ATOM 33 H LIG 1 -9.164 1.479 -4.656 0.00 0.00 +0.144 HD ATOM 34 H LIG 1 -9.187 2.932 -3.764 0.00 0.00 +0.144 HD ENDBRANCH 28 32 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 13