REMARK Name = BDB031887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.553 2.756 0.111 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.967 1.956 1.110 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.716 1.379 0.861 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.010 1.570 -0.317 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.197 0.815 -0.159 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.227 0.207 1.032 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.578 2.387 -1.312 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.072 0.560 1.616 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.124 0.204 2.544 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.835 2.968 -1.079 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.959 -1.251 -0.033 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.638 0.096 -0.256 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.260 1.081 0.497 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.166 2.580 0.519 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.903 3.398 0.339 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.176 2.994 1.565 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.734 1.835 2.073 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.448 1.841 2.785 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.431 4.143 1.886 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.968 3.376 -0.739 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.211 0.698 1.453 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.554 -0.614 1.699 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.912 -1.599 0.942 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.554 -3.514 -0.656 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.277 -2.130 -0.830 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.137 0.773 -1.133 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -1.962 1.292 -1.990 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.389 0.121 -1.226 0.00 0.00 +0.097 A ATOM 29 C LIG 1 -4.157 0.262 -2.392 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -5.361 -0.311 -2.594 0.00 0.00 -0.218 NA ATOM 31 C LIG 1 -5.841 -1.076 -1.580 0.00 0.00 +0.138 A ATOM 32 C LIG 1 -5.186 -1.300 -0.369 0.00 0.00 +0.056 A ATOM 33 C LIG 1 -3.937 -0.677 -0.217 0.00 0.00 +0.053 A BRANCH 32 34 ATOM 34 N LIG 1 -5.733 -2.105 0.668 0.00 0.00 -0.270 N ATOM 35 C LIG 1 -6.876 -2.910 0.572 0.00 0.00 +0.220 C ATOM 36 O LIG 1 -7.641 -3.048 -0.369 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 -7.005 -3.685 1.862 0.00 0.00 +0.098 C ATOM 38 C LIG 1 -6.146 -2.892 2.828 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -5.073 -2.297 1.939 0.00 0.00 +0.114 C ENDBRANCH 32 34 BRANCH 29 40 ATOM 40 O LIG 1 -3.607 1.058 -3.390 0.00 0.00 -0.478 OA ATOM 41 C LIG 1 -4.439 1.152 -4.543 0.00 0.00 +0.279 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6