REMARK Name = BDB025910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.037 1.036 0.621 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.496 0.213 -0.399 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.110 0.061 -0.537 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.213 0.720 0.324 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.770 1.536 1.319 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.028 2.182 2.184 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.148 1.697 1.469 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.883 0.859 3.922 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.842 0.480 2.780 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.874 1.497 2.459 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.454 2.152 3.620 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.541 2.349 1.290 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -7.163 3.752 1.283 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -5.015 2.460 1.015 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -4.436 1.126 0.758 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -5.040 0.010 1.532 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.240 0.555 0.178 0.00 0.00 +0.021 A ATOM 18 C LIG 1 2.149 1.587 0.305 0.00 0.00 +0.124 A ATOM 19 N LIG 1 3.489 1.460 0.170 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 3.977 0.241 -0.106 0.00 0.00 +0.218 A ATOM 21 N LIG 1 3.183 -0.830 -0.250 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 1.849 -0.651 -0.106 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 5.338 0.090 -0.269 0.00 0.00 -0.297 N ATOM 24 C LIG 1 5.869 -1.259 -0.436 0.00 0.00 +0.127 C ATOM 25 C LIG 1 7.319 -1.206 -0.950 0.00 0.00 +0.126 C ATOM 26 N LIG 1 8.200 -0.349 -0.145 0.00 0.00 -0.298 N ATOM 27 C LIG 1 9.582 -0.326 -0.249 0.00 0.00 +0.216 C ATOM 28 O LIG 1 10.280 0.397 0.461 0.00 0.00 -0.276 OA ATOM 29 C LIG 1 7.537 0.547 0.809 0.00 0.00 +0.126 C ATOM 30 C LIG 1 6.218 1.131 0.270 0.00 0.00 +0.127 C BRANCH 27 31 ATOM 31 C LIG 1 10.200 -1.232 -1.303 0.00 0.00 +0.107 C BRANCH 31 32 ATOM 32 C LIG 1 11.716 -1.081 -1.377 0.00 0.00 +0.129 C BRANCH 32 33 ATOM 33 C LIG 1 12.446 -1.580 -0.158 0.00 0.00 +0.305 C ATOM 34 O LIG 1 13.570 -1.244 0.180 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 11.798 -2.542 0.525 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 12.402 -2.731 1.274 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 37 ATOM 37 N LIG 1 -3.435 -0.392 -1.262 0.00 0.00 -0.280 N ATOM 38 H LIG 1 -4.390 -0.112 -1.048 0.00 0.00 +0.155 HD ATOM 39 C LIG 1 -3.204 -1.257 -2.301 0.00 0.00 +0.250 C ATOM 40 O LIG 1 -2.132 -1.690 -2.699 0.00 0.00 -0.270 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.464 -1.664 -2.980 0.00 0.00 +0.065 A ATOM 42 C LIG 1 -5.314 -2.745 -2.497 0.00 0.00 +0.073 A ATOM 43 C LIG 1 -6.440 -3.045 -3.174 0.00 0.00 +0.083 A ATOM 44 C LIG 1 -6.814 -2.289 -4.396 0.00 0.00 +0.249 A ATOM 45 O LIG 1 -7.839 -2.547 -5.012 0.00 0.00 -0.268 OA ATOM 46 N LIG 1 -5.942 -1.297 -4.773 0.00 0.00 -0.328 N ATOM 47 H LIG 1 -6.189 -0.791 -5.617 0.00 0.00 +0.168 HD ATOM 48 C LIG 1 -4.791 -0.988 -4.092 0.00 0.00 +0.099 A BRANCH 42 49 ATOM 49 C LIG 1 -4.893 -3.493 -1.271 0.00 0.00 +0.418 C ATOM 50 F LIG 1 -5.746 -4.508 -0.971 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -4.868 -2.687 -0.179 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -3.663 -4.046 -1.393 0.00 0.00 -0.166 F ENDBRANCH 42 49 ENDBRANCH 39 41 ENDBRANCH 2 37 TORSDOF 10