REMARK Name = BDB039330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.295 -0.297 -0.059 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -2.765 -1.515 0.300 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -1.877 -2.616 0.412 0.00 0.00 +0.066 A ATOM 4 N LIG 1 -0.533 -2.405 0.147 0.00 0.00 -0.299 N ATOM 5 C LIG 1 0.083 -3.623 0.318 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -0.760 -4.566 0.680 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 -0.009 -1.156 -0.218 0.00 0.00 +0.055 A ATOM 8 C LIG 1 -1.984 -3.948 0.738 0.00 0.00 +0.138 A ATOM 9 C LIG 1 -0.861 -0.113 -0.321 0.00 0.00 +0.031 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.423 -0.944 -0.473 0.00 0.00 -0.001 A ATOM 11 C LIG 1 2.309 -0.793 0.609 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.651 -0.593 0.335 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.795 -0.386 1.269 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.936 -0.309 0.367 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.548 -0.304 -0.961 0.00 0.00 +0.248 C ATOM 16 O LIG 1 6.229 -0.111 -1.948 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 4.100 -0.538 -0.982 0.00 0.00 +0.042 A ATOM 18 C LIG 1 3.255 -0.674 -2.067 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.899 -0.881 -1.802 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 7.262 0.044 0.862 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.540 1.527 0.612 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.834 2.416 1.090 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.590 1.837 -0.213 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.747 2.822 -0.374 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.347 0.993 -0.983 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.209 1.442 -1.735 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.057 -0.483 -0.889 0.00 0.00 +0.098 C ATOM 28 C LIG 1 8.400 -0.874 0.422 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 -3.159 0.945 -0.211 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 N LIG 1 -4.606 0.695 -0.314 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -4.971 0.253 -1.663 0.00 0.00 +0.105 C BRANCH 30 33 ATOM 32 C LIG 1 -5.277 3.118 -0.689 0.00 0.00 +0.029 C ATOM 33 C LIG 1 -5.414 1.844 0.164 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 C LIG 1 -6.857 1.419 0.450 0.00 0.00 -0.031 A ATOM 35 C LIG 1 -7.959 1.880 -0.287 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -9.255 1.455 0.021 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.470 0.561 1.067 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.390 0.086 1.805 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.096 0.510 1.498 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6