REMARK Name = BDB039381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.961 -1.232 0.524 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.806 -0.333 -0.161 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -3.127 -0.198 0.241 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -4.200 0.689 -0.295 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -5.377 0.272 0.466 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.027 -0.590 1.500 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.720 -0.991 2.414 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.616 -0.940 1.309 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.835 -1.831 2.014 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.504 -1.975 1.608 0.00 0.00 +0.011 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 2.595 -0.553 -0.679 0.00 0.00 -0.021 A ATOM 12 C LIG 1 3.079 -1.872 -0.571 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.321 -2.523 -0.817 0.00 0.00 +0.029 A ATOM 14 C LIG 1 4.168 -3.859 -0.510 0.00 0.00 +0.088 A ATOM 15 N LIG 1 2.878 -4.043 -0.086 0.00 0.00 -0.335 N ATOM 16 C LIG 1 2.299 -5.297 0.332 0.00 0.00 +0.150 C ATOM 17 C LIG 1 2.201 -2.850 -0.113 0.00 0.00 +0.141 A ATOM 18 N LIG 1 0.914 -2.689 0.247 0.00 0.00 -0.229 NA ATOM 19 C LIG 1 0.456 -1.419 0.133 0.00 0.00 +0.074 A ATOM 20 C LIG 1 1.248 -0.356 -0.311 0.00 0.00 +0.034 A BRANCH 11 21 ATOM 21 C LIG 1 3.425 0.617 -1.161 0.00 0.00 +0.120 C BRANCH 21 26 ATOM 22 C LIG 1 6.463 3.680 1.157 0.00 0.00 +0.007 C ATOM 23 C LIG 1 6.356 2.516 0.168 0.00 0.00 -0.012 C ATOM 24 C LIG 1 5.760 1.266 0.829 0.00 0.00 +0.018 C ATOM 25 C LIG 1 4.245 1.371 1.032 0.00 0.00 +0.085 C ATOM 26 N LIG 1 3.495 1.719 -0.186 0.00 0.00 -0.298 NA ATOM 27 C LIG 1 4.031 2.947 -0.791 0.00 0.00 +0.085 C ATOM 28 C LIG 1 5.537 2.901 -1.071 0.00 0.00 +0.018 C ENDBRANCH 21 26 ENDBRANCH 11 21 ENDBRANCH 1 19 BRANCH 5 29 ATOM 29 C LIG 1 -6.639 1.020 0.453 0.00 0.00 +0.163 C ATOM 30 C LIG 1 -6.746 1.969 -0.751 0.00 0.00 +0.240 C ATOM 31 O LIG 1 -6.105 3.016 -0.833 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 -7.478 1.526 -1.827 0.00 0.00 -0.255 N ATOM 33 H LIG 1 -7.467 2.122 -2.643 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 -8.008 0.275 -2.018 0.00 0.00 +0.219 C ATOM 35 O LIG 1 -8.425 -0.069 -3.121 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 -7.986 -0.660 -0.834 0.00 0.00 +0.098 C ATOM 37 C LIG 1 -7.880 0.117 0.470 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 4