REMARK Name = BDB050788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.141 0.228 -2.382 0.00 0.00 +0.196 A ATOM 2 N LIG 1 -1.099 -0.599 -1.942 0.00 0.00 -0.207 NA ATOM 3 C LIG 1 -2.026 -0.098 -1.114 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.971 1.232 -0.737 0.00 0.00 +0.087 A ATOM 5 C LIG 1 -0.935 2.013 -1.214 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -0.020 1.521 -2.056 0.00 0.00 -0.206 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.045 -0.931 -0.688 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -3.738 -0.728 0.592 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -4.004 -2.074 1.309 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -4.787 -3.047 0.518 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.468 -2.944 -0.925 0.00 0.00 +0.103 C ATOM 12 C LIG 1 -3.114 -2.281 -1.265 0.00 0.00 +0.122 C BRANCH 10 13 ATOM 13 C LIG 1 -4.624 -4.423 1.007 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.118 -4.612 2.438 0.00 0.00 +0.020 C ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 15 ATOM 15 N LIG 1 -0.779 3.367 -0.892 0.00 0.00 -0.285 N ATOM 16 H LIG 1 -0.062 3.765 -1.495 0.00 0.00 +0.155 HD BRANCH 15 17 ATOM 17 C LIG 1 -1.194 4.073 0.184 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -1.583 3.522 1.376 0.00 0.00 -0.264 N ATOM 19 H LIG 1 -1.592 2.545 1.635 0.00 0.00 +0.190 HD ATOM 20 N LIG 1 -1.943 4.424 2.304 0.00 0.00 -0.178 NA ATOM 21 C LIG 1 -1.726 5.601 1.706 0.00 0.00 +0.062 A ATOM 22 C LIG 1 -1.986 6.867 2.429 0.00 0.00 +0.067 C ATOM 23 C LIG 1 -1.237 5.433 0.389 0.00 0.00 +0.068 A ENDBRANCH 15 17 ENDBRANCH 5 15 BRANCH 1 24 ATOM 24 S LIG 1 1.077 -0.457 -3.480 0.00 0.00 -0.050 S BRANCH 24 28 ATOM 25 C LIG 1 4.571 -1.017 -0.526 0.00 0.00 +0.033 A ATOM 26 C LIG 1 3.456 -1.870 -0.498 0.00 0.00 +0.024 A ATOM 27 C LIG 1 2.391 -1.707 -1.391 0.00 0.00 +0.017 A ATOM 28 C LIG 1 2.417 -0.679 -2.331 0.00 0.00 +0.016 A ATOM 29 C LIG 1 3.525 0.167 -2.373 0.00 0.00 +0.017 A ATOM 30 C LIG 1 4.591 0.001 -1.476 0.00 0.00 +0.024 A BRANCH 25 32 ATOM 31 C LIG 1 6.764 -0.743 0.776 0.00 0.00 +0.217 C ATOM 32 N LIG 1 5.566 -1.284 0.432 0.00 0.00 -0.286 N ATOM 33 H LIG 1 5.367 -2.058 1.058 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 7.356 -1.258 1.732 0.00 0.00 -0.275 OA BRANCH 31 36 ATOM 35 C LIG 1 8.081 -0.047 -1.232 0.00 0.00 +0.013 C ATOM 36 C LIG 1 7.403 0.409 0.047 0.00 0.00 +0.093 C ENDBRANCH 31 36 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 8