REMARK Name = BDB020737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.648 0.250 1.969 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.623 -0.475 2.116 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.553 -1.817 2.802 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.768 0.119 1.669 0.00 0.00 +0.044 A ATOM 5 N LIG 1 1.678 1.447 1.159 0.00 0.00 -0.318 N ATOM 6 C LIG 1 0.483 2.174 1.101 0.00 0.00 +0.055 A ATOM 7 C LIG 1 0.748 3.443 0.612 0.00 0.00 +0.007 A ATOM 8 C LIG 1 2.130 3.489 0.312 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.668 2.271 0.654 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.709 1.511 1.506 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.246 4.483 0.419 0.00 0.00 -0.011 A ATOM 12 C LIG 1 -0.408 5.073 -0.837 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -1.356 6.080 -1.017 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.107 6.515 0.019 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.931 5.941 1.230 0.00 0.00 +0.113 A ATOM 16 C LIG 1 -1.025 4.931 1.480 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 N LIG 1 -1.506 6.671 -2.293 0.00 0.00 -0.321 N ATOM 18 C LIG 1 -2.299 7.900 -2.252 0.00 0.00 +0.130 C ATOM 19 C LIG 1 -1.963 5.705 -3.293 0.00 0.00 +0.130 C ENDBRANCH 13 17 ENDBRANCH 7 11 BRANCH 1 22 ATOM 20 N LIG 1 -2.285 -1.403 1.434 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -1.561 -1.759 0.818 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 -1.976 -0.360 2.270 0.00 0.00 +0.245 C ATOM 23 O LIG 1 -2.697 0.060 3.164 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 -3.399 -2.287 1.698 0.00 0.00 +0.149 C BRANCH 24 26 ATOM 25 C LIG 1 -5.174 -2.663 -0.052 0.00 0.00 +0.132 A ATOM 26 C LIG 1 -3.922 -2.836 0.411 0.00 0.00 +0.075 A ATOM 27 C LIG 1 -2.991 -3.670 -0.406 0.00 0.00 +0.257 A ATOM 28 O LIG 1 -1.810 -3.813 -0.096 0.00 0.00 -0.267 OA ATOM 29 N LIG 1 -3.513 -4.251 -1.537 0.00 0.00 -0.326 N ATOM 30 H LIG 1 -2.869 -4.822 -2.070 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 -4.810 -4.093 -1.967 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.209 -4.810 -3.218 0.00 0.00 +0.063 C ATOM 33 C LIG 1 -5.639 -3.317 -1.254 0.00 0.00 +0.067 A BRANCH 25 35 ATOM 34 C LIG 1 -6.142 -0.582 0.240 0.00 0.00 +0.277 C ATOM 35 O LIG 1 -6.139 -1.956 0.633 0.00 0.00 -0.495 OA ENDBRANCH 25 35 ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 4 36 ATOM 36 C LIG 1 3.134 -0.588 1.714 0.00 0.00 +0.101 C ATOM 37 C LIG 1 3.969 0.034 2.852 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 3.822 -0.630 0.396 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 5.186 -1.202 0.444 0.00 0.00 +0.100 C ATOM 40 C LIG 1 5.225 -2.736 0.637 0.00 0.00 +0.100 C ATOM 41 N LIG 1 4.449 -3.498 -0.363 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 3.089 -2.923 -0.468 0.00 0.00 +0.100 C ATOM 43 C LIG 1 3.043 -1.380 -0.620 0.00 0.00 +0.100 C BRANCH 41 44 ATOM 44 C LIG 1 5.107 -3.549 -1.699 0.00 0.00 +0.198 C BRANCH 44 45 ATOM 45 C LIG 1 6.521 -4.159 -1.812 0.00 0.00 +0.402 C ATOM 46 F LIG 1 6.853 -4.330 -3.115 0.00 0.00 -0.169 F ATOM 47 F LIG 1 6.609 -5.364 -1.210 0.00 0.00 -0.169 F ATOM 48 F LIG 1 7.458 -3.347 -1.269 0.00 0.00 -0.169 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 10