REMARK Name = BDB013430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.720 -1.076 -0.046 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.657 -1.746 1.192 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.679 -2.773 1.596 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.367 -1.417 2.088 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.325 -0.457 1.760 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.294 0.214 0.526 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.256 -0.105 -0.360 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.813 -1.367 -1.063 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.726 0.928 0.001 0.00 0.00 +0.189 C ATOM 10 O LIG 1 5.256 0.103 1.046 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 6.046 -0.925 0.620 0.00 0.00 +0.147 A ATOM 12 C LIG 1 5.846 -1.751 -0.485 0.00 0.00 +0.147 A ATOM 13 C LIG 1 6.775 -2.769 -0.774 0.00 0.00 +0.032 A ATOM 14 C LIG 1 7.891 -2.964 0.038 0.00 0.00 +0.002 A ATOM 15 C LIG 1 8.080 -2.156 1.153 0.00 0.00 +0.004 A ATOM 16 S LIG 1 4.414 -1.690 -1.526 0.00 0.00 +0.065 S ATOM 17 O LIG 1 4.042 -3.066 -1.788 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 4.698 -0.781 -2.617 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 3.179 -1.001 -0.587 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 7.158 -1.149 1.444 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.297 0.467 -0.312 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 4.287 3.409 -0.468 0.00 0.00 +0.007 C ATOM 23 C LIG 1 4.753 2.370 0.539 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.377 1.255 0.236 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -3.795 0.676 0.207 0.00 0.00 -0.034 A ATOM 26 C LIG 1 -4.074 -0.524 -0.475 0.00 0.00 +0.036 A ATOM 27 C LIG 1 -5.391 -1.000 -0.502 0.00 0.00 +0.117 A ATOM 28 N LIG 1 -5.919 -2.117 -1.091 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 -7.222 -2.137 -0.842 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -7.507 -1.047 -0.105 0.00 0.00 -0.243 N ATOM 31 C LIG 1 -8.858 -0.800 0.324 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -6.394 -0.286 0.139 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -6.172 0.912 0.827 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -4.845 1.374 0.839 0.00 0.00 +0.052 A BRANCH 33 35 ATOM 35 O LIG 1 -7.242 1.523 1.414 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -6.994 2.740 2.106 0.00 0.00 +0.277 C ENDBRANCH 33 35 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 -2.146 2.234 -0.931 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 -2.521 1.697 -2.285 0.00 0.00 +0.306 C ATOM 39 O LIG 1 -1.896 0.887 -2.947 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -3.675 2.215 -2.749 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -3.826 1.750 -3.600 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 6 24 TORSDOF 9