REMARK Name = BDB036677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.505 -0.801 0.461 0.00 0.00 +0.078 A ATOM 2 C LIG 1 1.951 -1.773 -0.411 0.00 0.00 +0.142 A ATOM 3 C LIG 1 1.017 -2.715 0.052 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.618 -2.674 1.402 0.00 0.00 +0.068 A ATOM 5 C LIG 1 1.229 -1.752 2.232 0.00 0.00 +0.171 A ATOM 6 O LIG 1 0.764 -1.902 3.498 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -0.193 -2.897 3.522 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -0.315 -3.322 2.259 0.00 0.00 +0.188 A ATOM 9 C LIG 1 2.165 -0.806 1.821 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 3.361 0.185 -0.095 0.00 0.00 -0.297 N ATOM 11 H LIG 1 3.749 -0.145 -0.982 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 3.938 3.671 0.311 0.00 0.00 +0.064 A ATOM 13 N LIG 1 2.907 3.496 1.147 0.00 0.00 -0.177 NA ATOM 14 N LIG 1 2.652 2.178 1.070 0.00 0.00 -0.264 N ATOM 15 H LIG 1 1.881 1.814 1.612 0.00 0.00 +0.190 HD ATOM 16 C LIG 1 3.467 1.502 0.203 0.00 0.00 +0.119 A ATOM 17 C LIG 1 4.314 2.457 -0.310 0.00 0.00 +0.068 A BRANCH 12 19 ATOM 18 C LIG 1 3.877 5.790 -1.017 0.00 0.00 +0.010 C ATOM 19 C LIG 1 4.536 5.022 0.118 0.00 0.00 +0.054 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 2.392 -1.693 -1.714 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 1.921 -2.685 -2.622 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -1.311 -4.252 1.976 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -1.900 -4.472 2.779 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -2.221 -4.247 0.562 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -3.501 -4.849 0.877 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -1.383 -4.834 -0.463 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -2.525 -2.531 0.196 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -2.234 -2.006 -1.068 0.00 0.00 +0.151 A ATOM 29 C LIG 1 -2.272 -0.627 -1.285 0.00 0.00 +0.059 A ATOM 30 C LIG 1 -2.652 0.237 -0.259 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -3.056 -0.303 0.971 0.00 0.00 +0.059 A ATOM 32 C LIG 1 -2.993 -1.681 1.214 0.00 0.00 +0.151 A BRANCH 30 33 ATOM 33 C LIG 1 -2.667 1.689 -0.442 0.00 0.00 +0.141 A ATOM 34 N LIG 1 -1.621 2.454 -0.920 0.00 0.00 -0.334 N ATOM 35 C LIG 1 -0.296 2.003 -1.280 0.00 0.00 +0.150 C ATOM 36 C LIG 1 -2.024 3.762 -0.932 0.00 0.00 +0.107 A ATOM 37 C LIG 1 -3.301 3.748 -0.429 0.00 0.00 +0.131 A ATOM 38 N LIG 1 -3.679 2.471 -0.112 0.00 0.00 -0.236 NA ENDBRANCH 30 33 BRANCH 28 39 ATOM 39 O LIG 1 -1.824 -2.766 -2.129 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 -2.953 -3.268 -2.849 0.00 0.00 +0.277 C ENDBRANCH 28 39 BRANCH 32 41 ATOM 41 O LIG 1 -3.346 -2.260 2.403 0.00 0.00 -0.493 OA ATOM 42 C LIG 1 -3.794 -1.412 3.455 0.00 0.00 +0.277 C ENDBRANCH 32 41 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 10