REMARK Name = BDB020690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.588 2.826 -0.333 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -3.284 1.486 -0.255 0.00 0.00 +0.101 A ATOM 3 N LIG 1 -2.006 1.324 0.264 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.522 2.600 0.535 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -0.225 2.720 1.094 0.00 0.00 +0.039 A ATOM 6 C LIG 1 0.488 1.610 1.359 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.045 0.257 1.119 0.00 0.00 -0.017 A ATOM 8 C LIG 1 0.803 -0.892 1.607 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -1.274 0.131 0.534 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -2.469 3.530 0.167 0.00 0.00 +0.037 A ENDROOT BRANCH 1 12 ATOM 11 N LIG 1 -6.046 2.886 -1.362 0.00 0.00 -0.264 N ATOM 12 C LIG 1 -4.913 3.469 -0.849 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -5.165 4.827 -0.860 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -6.463 4.960 -1.377 0.00 0.00 +0.135 A ATOM 15 N LIG 1 -7.007 3.784 -1.684 0.00 0.00 -0.179 NA BRANCH 11 17 ATOM 16 C LIG 1 -6.871 0.770 -0.399 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -6.324 1.487 -1.620 0.00 0.00 +0.141 C ENDBRANCH 11 17 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 1.864 1.871 1.880 0.00 0.00 +0.245 C ATOM 19 N LIG 1 2.852 1.371 1.069 0.00 0.00 -0.307 N ATOM 20 H LIG 1 2.594 1.058 0.142 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 2.062 2.511 2.904 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 4.245 1.658 1.317 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 5.072 0.519 0.803 0.00 0.00 +0.037 A ATOM 24 C LIG 1 5.618 0.689 -0.582 0.00 0.00 +0.254 A ATOM 25 O LIG 1 5.332 1.657 -1.282 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 6.442 -0.307 -1.044 0.00 0.00 -0.326 N ATOM 27 H LIG 1 6.807 -0.168 -1.979 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 6.756 -1.445 -0.343 0.00 0.00 +0.016 A ATOM 29 C LIG 1 7.659 -2.433 -1.013 0.00 0.00 +0.063 C ATOM 30 C LIG 1 6.245 -1.615 0.886 0.00 0.00 +0.024 A ATOM 31 C LIG 1 5.383 -0.607 1.487 0.00 0.00 -0.039 A ATOM 32 C LIG 1 4.893 -0.937 2.871 0.00 0.00 +0.044 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 6 18 BRANCH 9 33 ATOM 33 C LIG 1 -1.926 -1.207 0.142 0.00 0.00 +0.101 C ATOM 34 C LIG 1 -2.702 -1.729 1.367 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 -0.971 -2.191 -0.437 0.00 0.00 -0.290 NA ATOM 36 C LIG 1 -0.451 -1.719 -1.748 0.00 0.00 +0.113 C ATOM 37 C LIG 1 0.521 -2.732 -2.369 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -0.113 -4.002 -2.558 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -0.575 -4.506 -1.301 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -1.564 -3.533 -0.636 0.00 0.00 +0.113 C ENDBRANCH 33 35 ENDBRANCH 9 33 TORSDOF 7