REMARK Name = BDB039340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.498 4.083 -3.006 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -3.116 3.307 -1.957 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -2.457 2.378 -1.193 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -3.373 1.841 -0.293 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.918 0.853 0.603 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.556 0.509 0.502 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.725 1.122 -0.443 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -4.619 2.480 -0.550 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -1.154 2.063 -1.315 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -4.431 3.380 -1.577 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.708 0.770 -0.566 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.513 0.539 0.571 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.851 0.213 0.402 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.905 -0.047 1.424 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.059 -0.408 0.611 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.816 -0.225 -0.740 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.600 -0.293 -1.664 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.396 0.119 -0.874 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.659 0.348 -2.016 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.309 0.675 -1.851 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.372 -0.602 1.215 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.211 0.669 1.079 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.868 1.738 1.587 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.353 0.590 0.324 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.886 1.443 0.241 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.812 -0.463 -0.423 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.853 -0.362 -1.068 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 7.982 -1.722 -0.435 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.113 -1.871 0.800 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.798 0.187 1.637 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.918 -0.566 1.054 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -4.507 -1.738 0.287 0.00 0.00 +0.090 C ATOM 33 C LIG 1 -5.685 -2.269 -0.530 0.00 0.00 +0.091 C ATOM 34 C LIG 1 -6.992 -2.199 0.240 0.00 0.00 +0.251 C ATOM 35 F LIG 1 -7.731 -3.308 -0.034 0.00 0.00 -0.206 F ATOM 36 F LIG 1 -7.734 -1.146 -0.195 0.00 0.00 -0.206 F ATOM 37 C LIG 1 -6.799 -2.088 1.734 0.00 0.00 +0.091 C ATOM 38 C LIG 1 -5.928 -0.881 2.074 0.00 0.00 +0.090 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4