REMARK Name = BDB007580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.546 0.911 -0.882 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.417 1.842 -1.414 0.00 0.00 -0.309 N ATOM 3 H LIG 1 1.279 2.815 -1.175 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.420 -0.224 -1.324 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.391 1.161 1.489 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -1.557 0.789 0.431 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -0.291 1.371 0.259 0.00 0.00 +0.038 A ATOM 8 C LIG 1 0.160 2.343 1.157 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -0.670 2.752 2.195 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.936 2.177 2.344 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 -3.688 0.679 1.674 0.00 0.00 -0.341 N ATOM 12 H LIG 1 -3.990 0.768 2.641 0.00 0.00 +0.146 HD BRANCH 11 16 ATOM 13 N LIG 1 -6.906 -1.474 0.132 0.00 0.00 -0.300 NA ATOM 14 C LIG 1 -5.809 -1.200 -0.816 0.00 0.00 +0.086 C ATOM 15 C LIG 1 -4.812 -0.146 -0.339 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -4.177 -0.535 1.000 0.00 0.00 +0.073 C ATOM 17 C LIG 1 -5.186 -1.267 1.899 0.00 0.00 +0.037 C ATOM 18 C LIG 1 -6.628 -0.980 1.485 0.00 0.00 +0.086 C BRANCH 13 20 ATOM 19 C LIG 1 -8.627 -2.036 -1.556 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -8.236 -1.100 -0.399 0.00 0.00 +0.050 C ATOM 21 C LIG 1 -9.366 -1.163 0.642 0.00 0.00 +0.024 C ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 2.211 1.534 -2.589 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 3.392 0.570 -2.341 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 3.996 0.295 -3.619 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 4.461 1.096 -3.913 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.436 1.188 -1.372 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 5.383 0.244 -0.737 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.283 0.984 0.171 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.386 0.147 0.781 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.769 -1.073 0.202 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.817 -1.814 0.766 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.498 -1.334 1.884 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.133 -0.115 2.450 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.007 -1.613 -0.978 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.085 0.624 1.901 0.00 0.00 +0.005 A ATOM 36 C LIG 1 6.171 -0.542 -1.696 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 9