REMARK Name = BDB031487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.785 -0.100 1.580 0.00 0.00 -0.011 A ATOM 2 C LIG 1 1.161 0.775 0.666 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -0.094 0.447 0.183 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -0.946 1.206 -0.726 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -2.118 0.494 -0.884 0.00 0.00 -0.256 N ATOM 6 C LIG 1 -2.115 -0.787 -0.166 0.00 0.00 +0.192 C ATOM 7 O LIG 1 -0.647 2.277 -1.219 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.770 -0.709 0.548 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -0.183 -1.576 1.459 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.089 -1.271 1.967 0.00 0.00 +0.007 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.119 -2.029 -1.083 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.747 -1.948 -2.441 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -1.718 -3.085 -3.255 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.041 -4.328 -2.723 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -2.002 -5.726 -3.722 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -2.384 -4.446 -1.380 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.412 -3.308 -0.567 0.00 0.00 +0.010 A ENDBRANCH 6 11 BRANCH 1 18 ATOM 18 C LIG 1 3.181 0.258 2.111 0.00 0.00 +0.113 C ATOM 19 C LIG 1 3.696 -0.647 3.244 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 20 C LIG 1 5.982 1.361 -0.249 0.00 0.00 +0.215 A ATOM 21 N LIG 1 6.169 0.297 -1.058 0.00 0.00 -0.221 NA ATOM 22 C LIG 1 5.381 -0.773 -0.834 0.00 0.00 +0.115 A ATOM 23 C LIG 1 4.417 -0.832 0.161 0.00 0.00 +0.027 A ATOM 24 C LIG 1 4.228 0.281 0.995 0.00 0.00 -0.006 A ATOM 25 C LIG 1 5.044 1.399 0.772 0.00 0.00 +0.074 A BRANCH 20 27 ATOM 26 C LIG 1 7.675 2.393 -1.489 0.00 0.00 +0.279 C ATOM 27 O LIG 1 6.751 2.496 -0.411 0.00 0.00 -0.480 OA ENDBRANCH 20 27 ENDBRANCH 18 24 BRANCH 18 28 ATOM 28 O LIG 1 3.076 1.563 2.704 0.00 0.00 -0.380 OA ATOM 29 H LIG 1 2.184 1.641 3.081 0.00 0.00 +0.211 HD ENDBRANCH 18 28 ENDBRANCH 1 18 BRANCH 6 30 ATOM 30 O LIG 1 -3.077 -0.741 0.886 0.00 0.00 -0.351 OA ATOM 31 C LIG 1 -4.399 -1.159 0.587 0.00 0.00 +0.197 C ENDBRANCH 6 30 BRANCH 5 32 ATOM 32 C LIG 1 -3.231 1.009 -1.666 0.00 0.00 +0.166 C BRANCH 32 33 ATOM 33 C LIG 1 -4.225 1.846 -0.885 0.00 0.00 +0.059 A ATOM 34 N LIG 1 -5.521 1.430 -0.891 0.00 0.00 -0.257 NA ATOM 35 C LIG 1 -6.422 2.185 -0.214 0.00 0.00 +0.131 A ATOM 36 C LIG 1 -6.099 3.344 0.472 0.00 0.00 +0.059 A ATOM 37 CL LIG 1 -7.299 4.240 1.308 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 -4.777 3.764 0.463 0.00 0.00 +0.023 A ATOM 39 C LIG 1 -3.827 3.011 -0.227 0.00 0.00 +0.026 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8