REMARK Name = BDB050524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.435 0.288 -1.702 0.00 0.00 -0.283 N ATOM 2 C LIG 1 1.675 0.075 -1.038 0.00 0.00 +0.039 A ATOM 3 C LIG 1 2.884 0.529 -1.596 0.00 0.00 -0.025 A ATOM 4 C LIG 1 4.096 0.331 -0.913 0.00 0.00 +0.014 A ATOM 5 C LIG 1 4.141 -0.320 0.328 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.950 -0.795 0.895 0.00 0.00 +0.027 A ATOM 7 C LIG 1 2.929 1.168 -2.961 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.548 1.545 -3.472 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.740 -0.598 0.196 0.00 0.00 +0.033 A ATOM 10 C LIG 1 0.564 0.426 -3.159 0.00 0.00 +0.113 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -0.515 4.279 2.075 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -1.647 3.373 2.489 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -1.819 2.200 1.763 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -0.791 1.697 0.829 0.00 0.00 +0.148 C ATOM 15 C LIG 1 -1.363 0.663 -0.074 0.00 0.00 +0.033 A ATOM 16 C LIG 1 -0.814 0.033 -1.219 0.00 0.00 +0.152 A ATOM 17 N LIG 1 -1.717 -0.769 -1.795 0.00 0.00 -0.155 NA ATOM 18 N LIG 1 -2.808 -0.711 -1.002 0.00 0.00 -0.263 N ATOM 19 C LIG 1 -2.639 0.149 0.042 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -3.604 0.560 1.093 0.00 0.00 +0.074 C ATOM 21 C LIG 1 -2.828 1.234 2.243 0.00 0.00 +0.114 C ATOM 22 O LIG 1 -2.379 3.691 3.427 0.00 0.00 -0.276 OA BRANCH 18 23 ATOM 23 C LIG 1 -3.954 -1.540 -1.362 0.00 0.00 +0.108 C ATOM 24 C LIG 1 -4.147 -2.714 -0.391 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -5.308 -3.608 -0.823 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -6.595 -2.811 -1.019 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -6.398 -1.652 -1.994 0.00 0.00 +0.002 C ATOM 28 C LIG 1 -5.251 -0.742 -1.559 0.00 0.00 +0.027 C ENDBRANCH 18 23 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 5.432 -0.492 0.962 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.247 0.548 1.356 0.00 0.00 +0.116 A ATOM 31 N LIG 1 7.360 -0.028 1.896 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.496 0.649 2.472 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.344 -1.373 1.854 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.162 -1.654 1.297 0.00 0.00 +0.142 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 2.914 -1.517 2.218 0.00 0.00 +0.372 C ATOM 36 F LIG 1 3.500 -2.745 2.168 0.00 0.00 -0.204 F ATOM 37 F LIG 1 3.528 -0.835 3.224 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4