REMARK Name = BDB039040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.350 0.646 -0.357 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.377 -0.297 -0.072 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.975 0.089 0.066 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.009 -1.064 0.158 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.447 -2.409 0.152 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.525 -3.463 0.221 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.151 -3.228 0.325 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.731 -1.894 0.346 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.507 -1.294 0.432 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.326 0.075 0.412 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.956 0.367 0.310 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.918 -2.711 0.013 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.623 -0.831 0.267 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.778 -1.560 0.526 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.555 0.428 -0.300 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.430 1.098 0.501 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.379 2.038 -0.720 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -2.053 3.370 -0.420 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -1.343 4.132 0.711 0.00 0.00 +0.118 C ATOM 20 C LIG 1 -0.634 3.197 1.703 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -1.360 1.860 1.840 0.00 0.00 +0.014 C BRANCH 19 22 ATOM 22 O LIG 1 -2.303 4.901 1.449 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 -2.724 6.075 0.766 0.00 0.00 +0.194 C ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 25 ATOM 24 C LIG 1 6.791 2.851 -1.015 0.00 0.00 +0.282 C ATOM 25 O LIG 1 5.821 1.850 -0.709 0.00 0.00 -0.454 OA ENDBRANCH 1 25 BRANCH 9 26 ATOM 26 C LIG 1 -1.778 -1.996 0.540 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -2.514 -2.092 -0.804 0.00 0.00 +0.147 C BRANCH 27 28 ATOM 28 C LIG 1 -3.996 -2.368 -0.605 0.00 0.00 -0.032 A ATOM 29 C LIG 1 -4.944 -1.434 -1.054 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -6.308 -1.661 -0.867 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.743 -2.821 -0.232 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.815 -3.757 0.216 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.449 -3.534 0.032 0.00 0.00 +0.004 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -1.859 -3.150 -1.668 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -1.610 -4.302 -1.348 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.549 -2.701 -2.901 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -1.129 -3.467 -3.346 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 27 ENDBRANCH 9 26 TORSDOF 8