REMARK Name = BDB019482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.392 3.369 -0.960 0.00 0.00 -0.218 N ATOM 2 C LIG 1 -0.717 2.164 -1.017 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -1.624 1.220 -1.538 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -1.166 -0.114 -1.714 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.166 -0.436 -1.369 0.00 0.00 +0.022 A ATOM 6 C LIG 1 1.054 0.502 -0.835 0.00 0.00 -0.014 A ATOM 7 C LIG 1 -2.850 1.931 -1.768 0.00 0.00 +0.148 A ATOM 8 C LIG 1 0.601 1.817 -0.658 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -2.689 3.235 -1.371 0.00 0.00 +0.158 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 2.426 0.123 -0.460 0.00 0.00 +0.000 A ATOM 11 C LIG 1 2.699 -1.002 0.315 0.00 0.00 +0.121 A ATOM 12 N LIG 1 3.936 -1.399 0.708 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 5.001 -0.669 0.319 0.00 0.00 +0.121 A ATOM 14 C LIG 1 4.821 0.480 -0.452 0.00 0.00 +0.044 A ATOM 15 C LIG 1 3.538 0.874 -0.843 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 N LIG 1 6.299 -1.051 0.707 0.00 0.00 -0.313 N ATOM 17 C LIG 1 7.194 -1.255 -0.459 0.00 0.00 +0.122 C ATOM 18 C LIG 1 8.343 -2.234 -0.125 0.00 0.00 +0.103 C ATOM 19 N LIG 1 7.869 -3.585 0.254 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 8.908 -4.311 0.977 0.00 0.00 +0.105 C ATOM 21 C LIG 1 6.606 -3.512 1.030 0.00 0.00 +0.103 C ATOM 22 C LIG 1 6.349 -2.145 1.703 0.00 0.00 +0.122 C ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 4 23 ATOM 23 C LIG 1 -1.987 -1.236 -2.250 0.00 0.00 +0.245 C ATOM 24 N LIG 1 -3.334 -1.217 -1.999 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -3.759 -0.371 -1.636 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 -1.433 -2.160 -2.838 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -4.249 -2.192 -2.546 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 C LIG 1 -5.015 -2.821 -1.421 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -6.204 -2.040 -0.943 0.00 0.00 +0.254 A ATOM 30 O LIG 1 -6.488 -0.933 -1.392 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 -6.964 -2.621 0.042 0.00 0.00 -0.326 N ATOM 32 H LIG 1 -7.762 -2.079 0.348 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -6.694 -3.837 0.617 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -7.631 -4.313 1.684 0.00 0.00 +0.063 C ATOM 35 C LIG 1 -5.622 -4.530 0.203 0.00 0.00 +0.024 A ATOM 36 C LIG 1 -4.752 -4.015 -0.844 0.00 0.00 -0.039 A ATOM 37 C LIG 1 -3.586 -4.902 -1.185 0.00 0.00 +0.044 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 4 23 BRANCH 1 38 ATOM 38 S LIG 1 -0.779 4.809 -0.279 0.00 0.00 +0.061 S ATOM 39 O LIG 1 -1.748 5.833 -0.626 0.00 0.00 -0.152 OA ATOM 40 O LIG 1 0.589 4.888 -0.754 0.00 0.00 -0.152 OA BRANCH 38 41 ATOM 41 C LIG 1 -0.737 4.711 1.530 0.00 0.00 +0.112 C ATOM 42 C LIG 1 -2.104 4.673 2.180 0.00 0.00 +0.034 C ATOM 43 C LIG 1 -1.238 3.445 2.184 0.00 0.00 +0.034 C BRANCH 41 44 ATOM 44 C LIG 1 0.371 5.520 2.131 0.00 0.00 +0.058 C BRANCH 44 46 ATOM 45 C LIG 1 -0.022 7.799 3.125 0.00 0.00 +0.004 C ATOM 46 C LIG 1 0.183 7.012 2.062 0.00 0.00 -0.032 C ENDBRANCH 44 46 ENDBRANCH 41 44 ENDBRANCH 38 41 ENDBRANCH 1 38 BRANCH 7 47 ATOM 47 O LIG 1 -3.974 1.372 -2.274 0.00 0.00 -0.493 OA ATOM 48 C LIG 1 -5.103 2.230 -2.384 0.00 0.00 +0.277 C ENDBRANCH 7 47 TORSDOF 10