REMARK Name = BDB042173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.018 0.540 -1.022 0.00 0.00 +0.120 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.565 0.245 1.485 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.598 0.613 2.419 0.00 0.00 +0.251 C ATOM 4 O LIG 1 4.754 0.831 3.604 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.319 0.676 1.710 0.00 0.00 +0.077 A ATOM 6 C LIG 1 3.526 0.233 0.406 0.00 0.00 -0.015 A ATOM 7 C LIG 1 2.473 0.181 -0.493 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.194 0.586 -0.064 0.00 0.00 -0.030 A ATOM 9 C LIG 1 1.008 1.033 1.264 0.00 0.00 +0.044 A ATOM 10 C LIG 1 2.080 1.075 2.155 0.00 0.00 +0.136 A ATOM 11 F LIG 1 1.881 1.499 3.409 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.950 -0.170 0.226 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 9.376 2.464 -0.174 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.743 1.673 0.520 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.647 0.351 0.168 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.132 0.090 -0.681 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.773 -0.585 0.667 0.00 0.00 +0.240 C ATOM 18 O LIG 1 7.601 -1.647 0.069 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.921 -0.164 1.876 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.686 0.915 2.651 0.00 0.00 +0.041 C ATOM 21 C LIG 1 7.982 2.104 1.749 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.230 -0.803 -1.537 0.00 0.00 -0.290 NA ATOM 23 C LIG 1 -1.301 -0.873 -2.552 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -2.695 -0.399 -2.026 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.120 -1.099 -0.808 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -2.038 -1.393 0.144 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -1.311 -2.386 -2.815 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -0.910 -3.003 -1.471 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -0.700 -1.795 -0.546 0.00 0.00 +0.071 C BRANCH 25 30 ATOM 30 C LIG 1 -4.406 -0.720 -0.190 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -4.369 0.412 0.848 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -3.756 1.655 0.620 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.760 2.653 1.599 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.389 2.430 2.822 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.016 1.213 3.066 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.008 0.214 2.088 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.558 -0.647 -1.200 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -6.187 0.554 -1.566 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.227 0.563 -2.500 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.651 -0.625 -3.090 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.035 -1.826 -2.749 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -5.998 -1.836 -1.814 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 25 30 ENDBRANCH 1 22 TORSDOF 6