REMARK Name = BDB032532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.913 -1.482 -1.028 0.00 0.00 -0.322 N ATOM 2 C LIG 1 -1.781 -2.368 -0.646 0.00 0.00 +0.105 C ATOM 3 C LIG 1 -1.743 -3.433 -1.755 0.00 0.00 +0.029 C ATOM 4 C LIG 1 -3.210 -3.590 -2.110 0.00 0.00 +0.021 C ATOM 5 C LIG 1 -3.718 -2.153 -2.067 0.00 0.00 +0.106 C ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -4.004 2.150 2.059 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -4.196 0.800 1.665 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -3.497 0.338 0.523 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -3.648 -1.013 0.091 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -4.503 -1.867 0.808 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -5.198 -1.416 1.925 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -2.672 1.252 -0.151 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.551 2.543 0.323 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -5.045 -0.100 2.349 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.198 3.005 1.407 0.00 0.00 -0.240 NA BRANCH 6 16 ATOM 16 N LIG 1 -4.664 2.683 3.180 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -4.410 2.147 4.002 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -5.666 2.616 3.036 0.00 0.00 +0.144 HD ENDBRANCH 6 16 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 C LIG 1 -0.504 -1.583 -0.501 0.00 0.00 -0.009 A ATOM 20 C LIG 1 0.098 -0.932 -1.568 0.00 0.00 +0.118 A ATOM 21 N LIG 1 1.236 -0.199 -1.483 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 1.834 -0.066 -0.282 0.00 0.00 +0.122 A ATOM 23 C LIG 1 1.271 -0.655 0.850 0.00 0.00 +0.044 A ATOM 24 C LIG 1 0.106 -1.418 0.740 0.00 0.00 +0.010 A BRANCH 22 25 ATOM 25 N LIG 1 2.995 0.715 -0.171 0.00 0.00 -0.306 N ATOM 26 C LIG 1 3.334 1.431 -1.428 0.00 0.00 +0.182 C ATOM 27 C LIG 1 4.639 2.159 -1.351 0.00 0.00 +0.151 A ATOM 28 N LIG 1 5.178 3.016 -2.192 0.00 0.00 -0.133 NA ATOM 29 N LIG 1 6.408 3.381 -1.688 0.00 0.00 -0.128 NA ATOM 30 C LIG 1 6.597 2.737 -0.550 0.00 0.00 +0.200 A ATOM 31 N LIG 1 5.507 1.949 -0.317 0.00 0.00 -0.307 N ATOM 32 C LIG 1 5.231 1.071 0.799 0.00 0.00 +0.144 C ATOM 33 C LIG 1 4.149 0.039 0.447 0.00 0.00 +0.128 C BRANCH 30 34 ATOM 34 C LIG 1 7.765 2.819 0.352 0.00 0.00 +0.408 C ATOM 35 F LIG 1 7.375 3.087 1.630 0.00 0.00 -0.201 F ATOM 36 F LIG 1 8.413 1.622 0.413 0.00 0.00 -0.201 F ENDBRANCH 30 34 ENDBRANCH 22 25 ENDBRANCH 2 19 TORSDOF 5