REMARK Name = BDB031734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.304 1.997 1.551 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.535 3.048 1.016 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.191 2.807 0.707 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.570 1.582 0.910 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.775 1.766 0.459 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.972 3.019 0.040 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.326 0.532 1.462 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.220 3.612 0.180 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.306 4.582 -0.100 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.675 0.760 1.778 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.975 -0.743 -1.854 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.866 0.351 -0.982 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.710 0.436 0.115 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.874 1.443 1.219 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.758 2.196 1.913 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.029 0.907 2.034 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.426 -0.280 1.445 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.190 -0.835 1.799 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.502 1.439 3.024 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.705 2.915 0.973 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.665 -0.572 0.311 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.802 -1.660 -0.524 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.938 -1.741 -1.621 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.151 -1.793 -3.826 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.086 -0.721 -2.896 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.692 0.772 0.516 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.396 -0.142 0.838 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.938 0.668 -0.150 0.00 0.00 +0.173 A ATOM 29 C LIG 1 -3.829 -0.318 0.284 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -5.059 -0.438 -0.370 0.00 0.00 +0.170 A ATOM 31 N LIG 1 -5.401 0.441 -1.327 0.00 0.00 -0.200 NA ATOM 32 C LIG 1 -4.493 1.379 -1.658 0.00 0.00 +0.236 A ATOM 33 N LIG 1 -3.272 1.521 -1.128 0.00 0.00 -0.199 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.983 -1.432 -0.035 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -7.329 -1.296 -0.622 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -8.214 -2.449 -0.124 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.730 -3.754 -0.481 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -6.336 -3.770 -0.817 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -5.484 -2.822 0.045 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 29 40 ATOM 40 O LIG 1 -3.447 -1.148 1.315 0.00 0.00 -0.489 OA ATOM 41 C LIG 1 -4.037 -0.693 2.537 0.00 0.00 +0.277 C ENDBRANCH 29 40 BRANCH 32 42 ATOM 42 C LIG 1 -4.867 2.305 -2.694 0.00 0.00 +0.140 C ATOM 43 N LIG 1 -5.188 3.041 -3.538 0.00 0.00 -0.188 NA ENDBRANCH 32 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7