REMARK Name = BDB055271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.170 -1.518 -0.953 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.124 -0.390 -0.497 0.00 0.00 +0.234 C ATOM 3 N LIG 1 3.162 -0.793 0.307 0.00 0.00 -0.308 N ATOM 4 H LIG 1 3.329 -1.781 0.462 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 1.966 0.779 -0.851 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 4.175 0.124 0.843 0.00 0.00 +0.102 C BRANCH 6 7 ATOM 7 C LIG 1 4.306 -0.137 2.364 0.00 0.00 +0.028 C BRANCH 7 8 ATOM 8 C LIG 1 4.492 1.135 3.219 0.00 0.00 -0.015 C ATOM 9 C LIG 1 4.457 0.766 4.705 0.00 0.00 +0.007 C ATOM 10 C LIG 1 5.785 1.886 2.911 0.00 0.00 +0.007 C ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 11 ATOM 11 C LIG 1 5.520 -0.088 0.091 0.00 0.00 +0.145 C BRANCH 11 12 ATOM 12 O LIG 1 5.894 -1.476 0.194 0.00 0.00 -0.389 OA ATOM 13 H LIG 1 6.812 -1.554 -0.120 0.00 0.00 +0.210 HD ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 C LIG 1 5.464 0.281 -1.393 0.00 0.00 +0.153 C BRANCH 14 15 ATOM 15 C LIG 1 5.200 1.742 -1.598 0.00 0.00 +0.307 C ATOM 16 O LIG 1 5.444 2.643 -0.813 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 4.690 2.002 -2.816 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 4.521 2.968 -2.809 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 6 11 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -0.146 -0.899 -1.123 0.00 0.00 -0.302 N ATOM 20 H LIG 1 -0.155 -0.076 -1.716 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 -1.074 -0.927 -0.101 0.00 0.00 +0.234 C ATOM 22 O LIG 1 -0.951 -1.633 0.899 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 -2.258 0.047 -0.289 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 N LIG 1 -3.355 -0.426 0.538 0.00 0.00 -0.270 N ATOM 25 H LIG 1 -3.153 -0.613 1.513 0.00 0.00 +0.153 HD ATOM 26 C LIG 1 -4.311 -1.251 0.027 0.00 0.00 +0.401 C ATOM 27 O LIG 1 -4.506 -1.441 -1.162 0.00 0.00 -0.226 OA BRANCH 26 28 ATOM 28 O LIG 1 -4.983 -1.821 1.051 0.00 0.00 -0.445 OA BRANCH 28 29 ATOM 29 C LIG 1 -6.054 -2.766 0.799 0.00 0.00 +0.107 C ATOM 30 C LIG 1 -7.215 -2.104 0.049 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -6.544 -3.182 2.195 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -5.538 -4.013 0.071 0.00 0.00 +0.055 C ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 23 24 BRANCH 23 33 ATOM 33 C LIG 1 -1.816 1.461 0.116 0.00 0.00 +0.035 C BRANCH 33 34 ATOM 34 C LIG 1 -2.917 2.537 0.028 0.00 0.00 -0.009 C ATOM 35 C LIG 1 -2.379 3.875 0.579 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -3.122 5.108 0.059 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -4.557 4.789 -0.328 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -4.621 3.732 -1.430 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -3.466 2.726 -1.390 0.00 0.00 +0.003 C ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 40 ATOM 40 C LIG 1 1.619 -2.232 -2.253 0.00 0.00 +0.015 C ATOM 41 C LIG 1 1.866 -1.261 -3.415 0.00 0.00 +0.010 C BRANCH 40 43 ATOM 42 C LIG 1 3.153 -4.079 -3.158 0.00 0.00 +0.004 C ATOM 43 C LIG 1 2.840 -3.141 -1.999 0.00 0.00 +0.002 C ENDBRANCH 40 43 ENDBRANCH 1 40 TORSDOF 18