REMARK Name = BDB032766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.872 -0.601 -0.139 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.755 0.034 0.372 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.603 1.213 0.621 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.717 -0.991 0.530 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -4.216 -2.191 0.032 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -3.431 -3.329 0.044 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -2.136 -3.233 0.570 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -1.635 -2.012 1.080 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -2.443 -0.866 1.052 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -5.602 -1.991 -0.480 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -7.331 4.224 -0.652 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.263 2.998 -0.597 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.975 2.268 -1.720 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.760 2.812 -2.543 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.792 0.914 -1.833 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.365 0.424 -2.880 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -7.088 0.063 -0.598 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.884 0.802 0.476 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.462 2.244 0.693 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 -0.228 -1.928 1.620 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.574 -1.267 0.638 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 1.880 -1.152 0.986 0.00 0.00 +0.405 C ATOM 23 N LIG 1 2.532 -0.497 -0.019 0.00 0.00 -0.250 N ATOM 24 H LIG 1 1.932 -0.233 -0.789 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 2.353 -1.574 2.029 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 3.896 -0.164 -0.082 0.00 0.00 +0.057 A ATOM 27 C LIG 1 4.349 0.517 -1.208 0.00 0.00 +0.065 A ATOM 28 C LIG 1 5.695 0.865 -1.311 0.00 0.00 +0.151 A ATOM 29 F LIG 1 6.089 1.540 -2.402 0.00 0.00 -0.203 F ATOM 30 C LIG 1 6.587 0.528 -0.292 0.00 0.00 +0.106 A ATOM 31 N LIG 1 6.153 -0.131 0.818 0.00 0.00 -0.250 NA ATOM 32 C LIG 1 4.836 -0.461 0.899 0.00 0.00 +0.135 A BRANCH 30 33 ATOM 33 C LIG 1 8.030 0.853 -0.314 0.00 0.00 +0.003 A ATOM 34 C LIG 1 8.731 1.076 0.888 0.00 0.00 +0.010 A ATOM 35 C LIG 1 10.095 1.385 0.896 0.00 0.00 +0.001 A ATOM 36 C LIG 1 10.796 1.472 -0.302 0.00 0.00 +0.000 A ATOM 37 C LIG 1 10.134 1.247 -1.505 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.768 0.939 -1.509 0.00 0.00 +0.010 A ENDBRANCH 30 33 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6