REMARK Name = BDB006535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.160 -4.204 1.955 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.588 -2.798 2.197 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.265 -1.659 2.329 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.546 -0.541 2.539 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.005 0.746 2.705 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.385 0.897 2.654 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.216 -0.203 2.434 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.857 -0.987 2.539 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.665 -1.484 2.285 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.895 -2.354 2.333 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.168 -3.129 2.262 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.697 -0.065 2.371 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.174 1.139 1.892 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.527 1.734 1.395 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.419 -0.999 2.702 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.591 1.341 1.621 0.00 0.00 +0.102 C ATOM 17 C LIG 1 6.010 2.727 2.119 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.871 1.083 0.156 0.00 0.00 -0.009 A ATOM 19 C LIG 1 5.924 2.081 -0.807 0.00 0.00 +0.116 A ATOM 20 N LIG 1 6.149 1.868 -2.126 0.00 0.00 -0.259 NA ATOM 21 C LIG 1 6.336 0.594 -2.551 0.00 0.00 +0.044 A ATOM 22 C LIG 1 6.283 -0.470 -1.652 0.00 0.00 +0.024 A ATOM 23 C LIG 1 6.050 -0.226 -0.300 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 6.577 0.350 -4.022 0.00 0.00 +0.038 C ATOM 25 C LIG 1 7.557 1.215 -4.780 0.00 0.00 +0.010 C ATOM 26 C LIG 1 7.898 -0.216 -4.492 0.00 0.00 +0.010 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.026 -0.137 2.780 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.836 0.149 1.537 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -5.236 0.155 1.615 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.015 0.438 0.488 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.415 0.726 -0.746 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.015 0.742 -0.816 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.235 0.464 0.311 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.232 1.035 -1.929 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.000 0.075 -2.621 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -7.788 0.460 -3.722 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -7.819 1.789 -4.144 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.061 2.743 -3.474 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.278 2.370 -2.380 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -6.970 -1.362 -2.243 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -6.040 -1.994 -1.784 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -8.162 -1.954 -2.462 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -8.012 -2.877 -2.167 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9