REMARK Name = BDB064729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.247 -4.251 -2.047 0.00 0.00 -0.264 N ATOM 2 C LIG 1 -1.111 -2.969 -1.569 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -2.312 -2.330 -1.876 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -2.476 -0.982 -1.506 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -1.415 -0.311 -0.869 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -0.208 -0.958 -0.561 0.00 0.00 -0.015 A ATOM 7 C LIG 1 -3.066 -3.316 -2.555 0.00 0.00 +0.143 A ATOM 8 C LIG 1 -0.056 -2.313 -0.910 0.00 0.00 +0.036 A ATOM 9 N LIG 1 -2.431 -4.485 -2.646 0.00 0.00 -0.178 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.882 -0.230 0.113 0.00 0.00 -0.018 A ATOM 11 C LIG 1 1.487 -0.739 1.273 0.00 0.00 +0.009 A ATOM 12 C LIG 1 2.519 -0.048 1.915 0.00 0.00 +0.004 A ATOM 13 C LIG 1 2.974 1.177 1.412 0.00 0.00 -0.040 A ATOM 14 C LIG 1 2.378 1.694 0.255 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.347 0.999 -0.384 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 4.106 1.919 2.087 0.00 0.00 +0.109 C BRANCH 16 17 ATOM 17 C LIG 1 5.406 1.853 1.347 0.00 0.00 +0.113 A ATOM 18 N LIG 1 5.769 0.797 0.547 0.00 0.00 -0.342 N ATOM 19 H LIG 1 5.197 -0.013 0.353 0.00 0.00 +0.167 HD ATOM 20 C LIG 1 7.013 1.051 0.029 0.00 0.00 +0.067 A ATOM 21 C LIG 1 7.379 2.278 0.581 0.00 0.00 +0.101 A ATOM 22 C LIG 1 8.632 2.818 0.239 0.00 0.00 +0.064 A ATOM 23 C LIG 1 9.467 2.108 -0.645 0.00 0.00 +0.015 A ATOM 24 C LIG 1 9.063 0.883 -1.179 0.00 0.00 +0.003 A ATOM 25 C LIG 1 7.823 0.326 -0.850 0.00 0.00 +0.028 A ATOM 26 N LIG 1 6.361 2.760 1.375 0.00 0.00 -0.231 NA BRANCH 22 27 ATOM 27 C LIG 1 9.078 4.101 0.811 0.00 0.00 +0.244 C ATOM 28 O LIG 1 8.993 4.370 2.000 0.00 0.00 -0.270 OA ATOM 29 N LIG 1 9.623 4.992 -0.078 0.00 0.00 -0.325 N ATOM 30 H LIG 1 9.789 5.920 0.290 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 9.450 4.906 -1.069 0.00 0.00 +0.145 HD ENDBRANCH 22 27 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 4 32 ATOM 32 C LIG 1 -3.716 -0.229 -1.787 0.00 0.00 +0.245 C ATOM 33 N LIG 1 -4.895 -0.912 -1.601 0.00 0.00 -0.307 N ATOM 34 H LIG 1 -4.887 -1.801 -1.112 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 -3.650 0.949 -2.118 0.00 0.00 -0.270 OA BRANCH 33 36 ATOM 36 C LIG 1 -6.182 -0.255 -1.689 0.00 0.00 +0.145 C BRANCH 36 37 ATOM 37 C LIG 1 -6.596 0.219 -0.327 0.00 0.00 +0.037 A ATOM 38 C LIG 1 -7.039 -0.873 0.602 0.00 0.00 +0.254 A ATOM 39 O LIG 1 -7.002 -2.057 0.277 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -7.478 -0.488 1.843 0.00 0.00 -0.326 N ATOM 41 H LIG 1 -7.771 -1.242 2.452 0.00 0.00 +0.169 HD ATOM 42 C LIG 1 -7.509 0.809 2.288 0.00 0.00 +0.016 A ATOM 43 C LIG 1 -8.001 1.044 3.682 0.00 0.00 +0.063 C ATOM 44 C LIG 1 -7.099 1.788 1.467 0.00 0.00 +0.024 A ATOM 45 C LIG 1 -6.635 1.496 0.117 0.00 0.00 -0.039 A ATOM 46 C LIG 1 -6.221 2.709 -0.671 0.00 0.00 +0.044 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 4 32 BRANCH 1 48 ATOM 47 C LIG 1 -0.387 -6.123 -0.696 0.00 0.00 +0.029 C ATOM 48 C LIG 1 -0.269 -5.321 -1.979 0.00 0.00 +0.141 C ENDBRANCH 1 48 TORSDOF 8