REMARK Name = BDB039512 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.188 0.166 0.075 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.266 1.081 0.068 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.568 0.608 0.087 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.855 1.360 0.066 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.847 0.298 0.179 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.270 -0.958 0.123 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.818 -2.040 0.056 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.817 -0.758 0.114 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.806 -1.696 0.124 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.489 -1.223 0.110 0.00 0.00 +0.011 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.272 0.583 0.062 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.770 0.223 -1.338 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.334 0.773 -2.351 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 7.696 -0.783 -1.434 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.000 -1.014 -2.369 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.169 -1.605 -0.445 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.972 -2.497 -0.708 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.648 -1.384 0.952 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.152 0.032 1.181 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 24 ATOM 20 C LIG 1 -2.649 2.396 0.683 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -3.740 1.727 0.104 0.00 0.00 +0.037 A ATOM 22 C LIG 1 -3.560 0.468 -0.491 0.00 0.00 -0.020 A ATOM 23 C LIG 1 -2.252 -0.038 -0.539 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -1.207 0.660 0.057 0.00 0.00 +0.073 A ATOM 25 N LIG 1 -1.409 1.858 0.663 0.00 0.00 -0.232 NA BRANCH 20 27 ATOM 26 C LIG 1 -1.626 4.242 1.856 0.00 0.00 +0.127 C ATOM 27 N LIG 1 -2.836 3.641 1.318 0.00 0.00 -0.332 N ATOM 28 H LIG 1 -3.318 4.275 0.684 0.00 0.00 +0.147 HD ENDBRANCH 20 27 BRANCH 21 29 ATOM 29 C LIG 1 -5.061 2.374 0.159 0.00 0.00 +0.112 C ATOM 30 N LIG 1 -5.819 2.562 -0.873 0.00 0.00 -0.307 NA ATOM 31 H LIG 1 -5.374 2.229 -1.735 0.00 0.00 +0.186 HD ENDBRANCH 21 29 BRANCH 22 32 ATOM 32 C LIG 1 -4.706 -0.332 -1.084 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 -4.537 -1.793 -0.935 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -5.526 -2.528 -1.740 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -6.790 -2.593 -0.897 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -6.311 -2.454 0.540 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -4.806 -2.243 0.442 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 1 24 TORSDOF 6