REMARK Name = BDB034579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.023 0.879 -1.820 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.250 1.096 -1.222 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.189 1.264 -0.217 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.197 0.647 -3.003 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.432 0.824 -0.309 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -3.069 1.058 1.028 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.730 1.221 1.389 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.749 1.175 0.456 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -1.110 0.944 -0.838 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -2.417 0.766 -1.263 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -1.341 1.465 2.827 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -0.159 0.735 3.424 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -1.548 0.381 3.860 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 15 ATOM 14 C LIG 1 -5.594 2.003 -0.615 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -4.889 0.639 -0.716 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 N LIG 1 -5.552 -0.399 0.098 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -4.944 -1.733 -0.088 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -6.044 -2.663 0.367 0.00 0.00 -0.015 C ATOM 19 C LIG 1 -6.067 -4.103 -0.100 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -5.752 -3.791 1.333 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -7.318 -1.883 0.494 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -6.979 -0.575 -0.210 0.00 0.00 +0.085 C ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 2.525 1.092 -1.808 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.617 1.323 -0.960 0.00 0.00 +0.027 A ATOM 25 C LIG 1 4.956 1.308 -1.414 0.00 0.00 -0.032 A ATOM 26 C LIG 1 5.141 1.060 -2.787 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.063 0.846 -3.648 0.00 0.00 +0.002 A ATOM 28 C LIG 1 2.758 0.861 -3.159 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 6.190 1.525 -0.409 0.00 0.00 +0.080 C ATOM 30 C LIG 1 7.393 2.354 -0.926 0.00 0.00 +0.177 C ATOM 31 O LIG 1 7.447 3.107 0.311 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 6.098 2.674 0.630 0.00 0.00 +0.177 C BRANCH 29 33 ATOM 33 C LIG 1 6.672 0.202 0.205 0.00 0.00 +0.248 C ATOM 34 F LIG 1 7.161 -0.574 -0.810 0.00 0.00 -0.236 F BRANCH 33 35 ATOM 35 C LIG 1 5.600 -0.506 0.965 0.00 0.00 +0.168 A ATOM 36 N LIG 1 4.969 -1.662 0.580 0.00 0.00 -0.318 N ATOM 37 C LIG 1 5.208 -2.457 -0.595 0.00 0.00 +0.151 C ATOM 38 C LIG 1 4.030 -1.917 1.532 0.00 0.00 +0.224 A ATOM 39 N LIG 1 4.075 -0.984 2.454 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 5.065 -0.101 2.103 0.00 0.00 -0.132 NA ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 29 ENDBRANCH 2 23 TORSDOF 8