REMARK Name = BDB032154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.624 -2.364 -0.826 0.00 0.00 -0.007 A ATOM 2 C LIG 1 2.353 -1.231 -1.224 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.597 -1.029 -0.653 0.00 0.00 +0.045 A ATOM 4 C LIG 1 4.556 0.058 -0.876 0.00 0.00 +0.248 C ATOM 5 N LIG 1 5.671 -0.227 -0.107 0.00 0.00 -0.282 N ATOM 6 C LIG 1 5.467 -1.394 0.743 0.00 0.00 +0.147 C ATOM 7 O LIG 1 4.351 1.023 -1.583 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.139 -1.886 0.297 0.00 0.00 +0.017 A ATOM 9 C LIG 1 3.426 -2.990 0.701 0.00 0.00 +0.129 A ATOM 10 F LIG 1 3.928 -3.822 1.621 0.00 0.00 -0.205 F ATOM 11 C LIG 1 2.169 -3.235 0.146 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 6.815 0.657 0.087 0.00 0.00 +0.163 C ATOM 13 C LIG 1 6.383 1.925 0.825 0.00 0.00 +0.240 C ATOM 14 O LIG 1 5.896 1.892 1.956 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.513 3.114 0.154 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.206 3.937 0.654 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.839 3.318 -1.161 0.00 0.00 +0.219 C ATOM 18 O LIG 1 6.834 4.452 -1.635 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.170 2.105 -1.992 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.654 0.933 -1.158 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 0.251 -2.620 -1.394 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 -0.674 -1.812 -0.663 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 -2.739 -1.135 -0.305 0.00 0.00 -0.251 N ATOM 24 H LIG 1 -2.213 -0.594 0.367 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -1.964 -1.964 -1.063 0.00 0.00 +0.405 C ATOM 26 O LIG 1 -2.312 -2.724 -1.953 0.00 0.00 -0.226 OA BRANCH 23 29 ATOM 27 C LIG 1 -6.072 0.255 0.573 0.00 0.00 -0.040 A ATOM 28 C LIG 1 -4.687 -0.016 0.535 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -4.131 -0.947 -0.356 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -4.971 -1.626 -1.233 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -6.343 -1.379 -1.217 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -6.887 -0.450 -0.325 0.00 0.00 +0.004 A BRANCH 27 34 ATOM 33 C LIG 1 -8.165 1.470 1.483 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -6.632 1.288 1.567 0.00 0.00 -0.013 C ATOM 35 C LIG 1 -5.994 2.667 1.298 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -6.304 0.849 3.011 0.00 0.00 +0.015 C ENDBRANCH 27 34 ENDBRANCH 23 29 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6