REMARK Name = BDB048732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.857 -1.389 -0.923 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.606 -0.502 -1.694 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.938 -0.231 -1.359 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.545 -0.844 -0.251 0.00 0.00 -0.026 A ATOM 5 C LIG 1 -2.779 -1.726 0.524 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.450 -1.995 0.186 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.982 -0.555 0.139 0.00 0.00 +0.124 C ATOM 8 C LIG 1 -5.150 0.582 1.136 0.00 0.00 +0.164 C ATOM 9 C LIG 1 -6.628 0.850 1.260 0.00 0.00 +0.026 C ATOM 10 C LIG 1 -7.112 1.503 2.531 0.00 0.00 +0.059 C ATOM 11 N LIG 1 -7.504 0.566 0.349 0.00 0.00 -0.172 NA ATOM 12 C LIG 1 -7.132 0.024 -0.849 0.00 0.00 +0.324 C ATOM 13 O LIG 1 -7.910 -0.130 -1.783 0.00 0.00 -0.251 OA ATOM 14 N LIG 1 -5.837 -0.376 -1.003 0.00 0.00 -0.290 N ATOM 15 H LIG 1 -5.696 -0.933 -1.837 0.00 0.00 +0.151 HD BRANCH 8 16 ATOM 16 C LIG 1 -4.368 1.825 0.816 0.00 0.00 +0.315 C ATOM 17 O LIG 1 -3.425 2.247 1.467 0.00 0.00 -0.250 OA BRANCH 16 18 ATOM 18 O LIG 1 -4.801 2.503 -0.260 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 -4.208 3.282 -0.324 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 O LIG 1 0.441 -1.752 -1.143 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 1.133 -1.103 -2.211 0.00 0.00 +0.250 C BRANCH 21 22 ATOM 22 C LIG 1 2.568 -1.623 -2.260 0.00 0.00 +0.163 C BRANCH 22 27 ATOM 23 C LIG 1 5.631 1.565 -0.162 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.836 0.398 -0.243 0.00 0.00 +0.049 A ATOM 25 C LIG 1 4.558 -0.689 0.647 0.00 0.00 +0.011 A ATOM 26 C LIG 1 3.658 -1.544 0.007 0.00 0.00 +0.050 A ATOM 27 N LIG 1 3.418 -1.011 -1.245 0.00 0.00 -0.336 N ATOM 28 C LIG 1 3.164 -2.702 0.632 0.00 0.00 +0.026 A ATOM 29 C LIG 1 3.606 -3.000 1.924 0.00 0.00 +0.002 A ATOM 30 C LIG 1 4.513 -2.173 2.576 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.994 -1.019 1.950 0.00 0.00 +0.011 A ATOM 32 C LIG 1 4.121 0.167 -1.423 0.00 0.00 +0.054 A ATOM 33 C LIG 1 4.192 1.046 -2.519 0.00 0.00 +0.026 A ATOM 34 C LIG 1 5.015 2.172 -2.419 0.00 0.00 +0.006 A ATOM 35 C LIG 1 5.734 2.429 -1.258 0.00 0.00 +0.046 A BRANCH 23 37 ATOM 36 C LIG 1 5.598 2.697 1.830 0.00 0.00 +0.277 C ATOM 37 O LIG 1 6.369 1.859 0.967 0.00 0.00 -0.494 OA ENDBRANCH 23 37 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8