REMARK Name = BDB038687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.971 0.493 1.224 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.402 1.566 1.931 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.724 1.857 1.976 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.649 1.076 1.290 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.219 -0.005 0.515 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.852 -0.298 0.499 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.848 -1.124 1.221 0.00 0.00 -0.030 A ATOM 8 C LIG 1 2.574 -1.499 0.761 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.500 -0.687 1.080 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.082 -0.866 0.742 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.591 0.227 1.272 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.296 1.120 2.001 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.327 -1.839 0.138 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.633 0.479 1.825 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.876 0.874 2.284 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.981 0.067 1.979 0.00 0.00 +0.005 A BRANCH 7 18 ATOM 17 C LIG 1 4.906 -3.414 1.340 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.084 -1.954 0.903 0.00 0.00 +0.081 C BRANCH 18 19 ATOM 19 N LIG 1 5.420 -1.941 -0.528 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 4.582 -2.172 -1.062 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 5.960 -0.668 -1.015 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 7.424 -0.481 -0.608 0.00 0.00 +0.003 C ATOM 23 C LIG 1 8.460 -1.417 -1.287 0.00 0.00 +0.005 C ATOM 24 C LIG 1 8.721 -0.305 -2.319 0.00 0.00 +0.001 C ATOM 25 C LIG 1 8.153 0.701 -1.300 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.185 -0.822 -0.242 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.182 -0.919 -1.654 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.102 -1.770 -2.297 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.041 -2.499 -1.564 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -7.062 -2.393 -0.174 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.143 -1.567 0.477 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -4.242 -0.193 -2.510 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.134 1.170 -2.655 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.931 2.206 -2.058 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.146 1.383 -3.567 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -2.687 0.232 -3.995 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -3.386 -0.758 -3.345 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -7.980 -3.348 -2.236 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.758 -4.024 -2.770 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -4.166 3.039 2.804 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.527 4.390 2.576 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.956 4.167 2.182 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9