REMARK Name = BDB049110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.712 -2.958 -1.203 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.306 -2.228 -0.103 0.00 0.00 -0.323 N ATOM 3 C LIG 1 1.345 -1.399 0.266 0.00 0.00 +0.069 A ATOM 4 C LIG 1 2.345 -1.671 -0.660 0.00 0.00 +0.090 A ATOM 5 C LIG 1 3.568 -0.988 -0.581 0.00 0.00 +0.038 A ATOM 6 C LIG 1 3.772 -0.033 0.433 0.00 0.00 -0.016 A ATOM 7 C LIG 1 2.734 0.212 1.350 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.505 -0.460 1.289 0.00 0.00 +0.028 A ATOM 9 N LIG 1 1.940 -2.628 -1.554 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 5.050 0.694 0.531 0.00 0.00 -0.014 A ATOM 11 C LIG 1 5.082 2.102 0.522 0.00 0.00 +0.054 A ATOM 12 C LIG 1 6.292 2.796 0.616 0.00 0.00 +0.121 A ATOM 13 C LIG 1 7.484 2.080 0.725 0.00 0.00 +0.045 A ATOM 14 C LIG 1 7.475 0.686 0.733 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.265 -0.001 0.636 0.00 0.00 +0.009 A BRANCH 12 16 ATOM 16 O LIG 1 6.442 4.156 0.616 0.00 0.00 -0.495 OA ATOM 17 C LIG 1 5.261 4.933 0.459 0.00 0.00 +0.277 C ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 1 18 ATOM 18 C LIG 1 -0.120 -3.981 -1.907 0.00 0.00 +0.074 C BRANCH 18 20 ATOM 19 C LIG 1 -0.781 -6.410 -2.008 0.00 0.00 +0.004 C ATOM 20 C LIG 1 0.059 -5.367 -1.288 0.00 0.00 +0.004 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.962 -2.345 0.603 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -1.870 -1.157 0.387 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -2.154 -0.669 -0.896 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.028 0.407 -1.073 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -3.653 1.014 0.024 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.374 0.522 1.306 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -2.499 -0.554 1.486 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -4.561 2.155 -0.165 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -5.963 2.068 -0.031 0.00 0.00 +0.067 A ATOM 30 C LIG 1 -6.760 3.217 -0.188 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.179 4.450 -0.481 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.800 4.547 -0.623 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.001 3.413 -0.466 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 C LIG 1 -6.637 0.770 0.236 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -6.293 -0.338 -0.126 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -7.747 0.935 0.983 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -8.084 0.021 1.095 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9