REMARK Name = BDB051392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.777 -2.859 1.102 0.00 0.00 +0.247 C ATOM 2 N LIG 1 0.167 -2.111 2.120 0.00 0.00 -0.293 N ATOM 3 O LIG 1 0.697 -4.079 0.993 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 4 C LIG 1 3.082 -0.905 -1.891 0.00 0.00 +0.066 A ATOM 5 C LIG 1 3.626 -1.083 -0.603 0.00 0.00 +0.137 A ATOM 6 C LIG 1 2.863 -1.724 0.376 0.00 0.00 +0.060 A ATOM 7 C LIG 1 1.570 -2.168 0.070 0.00 0.00 +0.040 A ATOM 8 C LIG 1 1.044 -2.031 -1.215 0.00 0.00 +0.014 A ATOM 9 C LIG 1 1.800 -1.387 -2.192 0.00 0.00 +0.021 A BRANCH 4 11 ATOM 10 C LIG 1 4.432 0.315 -3.798 0.00 0.00 +0.009 C ATOM 11 C LIG 1 3.819 -0.242 -2.928 0.00 0.00 -0.066 C ENDBRANCH 4 11 BRANCH 5 12 ATOM 12 O LIG 1 4.889 -0.589 -0.399 0.00 0.00 -0.491 OA BRANCH 12 13 ATOM 13 C LIG 1 5.538 -0.902 0.833 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 6.950 -0.332 0.776 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 7.734 -0.659 2.039 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 O LIG 1 8.995 0.007 2.064 0.00 0.00 -0.383 OA ATOM 17 C LIG 1 9.980 -0.618 1.251 0.00 0.00 +0.193 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 18 ATOM 18 C LIG 1 -0.375 -2.830 3.299 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -1.521 -3.788 2.965 0.00 0.00 +0.028 C ATOM 20 C LIG 1 0.731 -3.546 4.081 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 0.263 -0.637 2.240 0.00 0.00 +0.129 C BRANCH 21 22 ATOM 22 C LIG 1 -1.035 0.173 1.940 0.00 0.00 +0.097 C BRANCH 22 23 ATOM 23 N LIG 1 -2.120 -0.139 2.892 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -2.575 -0.996 2.566 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.849 0.570 2.807 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 -1.509 -0.004 0.469 0.00 0.00 +0.133 C BRANCH 26 27 ATOM 27 O LIG 1 -2.123 -1.287 0.309 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -1.534 -1.946 0.722 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -2.538 1.060 0.055 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 -2.727 1.169 -1.472 0.00 0.00 +0.074 C ATOM 31 C LIG 1 -3.349 -0.065 -2.122 0.00 0.00 +0.017 C BRANCH 30 32 ATOM 32 C LIG 1 -3.545 2.415 -1.800 0.00 0.00 +0.216 C ATOM 33 N LIG 1 -4.847 2.396 -1.353 0.00 0.00 -0.315 N ATOM 34 H LIG 1 -5.227 1.534 -0.983 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 -3.052 3.366 -2.399 0.00 0.00 -0.276 OA BRANCH 33 36 ATOM 36 C LIG 1 -5.770 3.473 -1.650 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 -6.401 3.300 -3.031 0.00 0.00 +0.018 C BRANCH 37 38 ATOM 38 C LIG 1 -7.481 4.339 -3.335 0.00 0.00 -0.002 C ATOM 39 C LIG 1 -6.943 5.757 -3.444 0.00 0.00 +0.004 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 19