REMARK Name = BDB039311 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.803 -0.652 0.338 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.975 -1.965 0.097 0.00 0.00 +0.097 A ATOM 3 N LIG 1 1.891 -2.734 -0.306 0.00 0.00 -0.306 N ATOM 4 C LIG 1 0.603 -2.237 -0.475 0.00 0.00 +0.145 A ATOM 5 N LIG 1 -0.227 -3.198 -0.838 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 0.535 -4.333 -0.926 0.00 0.00 +0.131 A ATOM 7 C LIG 1 0.392 -0.833 -0.228 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.845 -4.073 -0.600 0.00 0.00 +0.112 A ATOM 9 C LIG 1 1.456 -0.095 0.178 0.00 0.00 +0.018 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.929 -0.163 -0.351 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -2.072 -0.771 0.203 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -3.297 -0.137 0.076 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -4.646 -0.573 0.540 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -5.487 0.562 0.179 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -4.795 1.507 -0.565 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -5.233 2.510 -1.096 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.392 1.080 -0.593 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -2.302 1.703 -1.166 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -1.063 1.067 -1.044 0.00 0.00 +0.009 A BRANCH 14 20 ATOM 20 C LIG 1 -6.944 0.527 0.216 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -7.534 -0.423 -0.840 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -6.896 -0.916 -1.767 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -8.871 -0.711 -0.690 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -9.247 -1.349 -1.379 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -9.583 -0.645 0.481 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -10.647 -1.244 0.611 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -9.001 0.215 1.578 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -7.482 0.138 1.590 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 3.917 0.253 0.798 0.00 0.00 +0.118 C BRANCH 29 30 ATOM 30 N LIG 1 4.362 1.114 -0.299 0.00 0.00 -0.306 NA ATOM 31 H LIG 1 3.578 1.682 -0.612 0.00 0.00 +0.123 HD BRANCH 30 33 ATOM 32 C LIG 1 5.669 3.066 -0.983 0.00 0.00 +0.029 C ATOM 33 C LIG 1 5.463 2.005 0.105 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 C LIG 1 6.765 1.261 0.354 0.00 0.00 -0.031 A ATOM 35 C LIG 1 7.499 1.501 1.526 0.00 0.00 +0.005 A ATOM 36 C LIG 1 8.701 0.830 1.762 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.185 -0.086 0.830 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.470 -0.332 -0.339 0.00 0.00 +0.000 A ATOM 39 C LIG 1 7.268 0.338 -0.577 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6