REMARK Name = BDB046797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.015 0.119 1.459 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -0.965 -0.085 2.499 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.647 0.989 3.081 0.00 0.00 +0.056 A ATOM 4 C LIG 1 -1.367 2.246 2.592 0.00 0.00 +0.072 A ATOM 5 N LIG 1 -1.894 3.492 2.954 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -1.291 4.496 2.165 0.00 0.00 +0.330 A ATOM 7 N LIG 1 -0.387 3.827 1.309 0.00 0.00 -0.295 N ATOM 8 C LIG 1 0.448 4.455 0.327 0.00 0.00 +0.154 C ATOM 9 O LIG 1 -1.508 5.696 2.210 0.00 0.00 -0.246 OA ATOM 10 C LIG 1 -2.871 3.713 3.982 0.00 0.00 +0.154 C ATOM 11 C LIG 1 -0.435 2.453 1.573 0.00 0.00 +0.073 A ATOM 12 C LIG 1 0.264 1.412 0.995 0.00 0.00 +0.076 A ENDROOT BRANCH 2 13 ATOM 13 N LIG 1 -1.250 -1.422 2.930 0.00 0.00 -0.213 N ATOM 14 H LIG 1 -0.519 -2.107 2.726 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 -2.783 -2.067 2.612 0.00 0.00 +0.073 S ATOM 16 O LIG 1 -2.704 -3.476 2.933 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 -3.795 -1.218 3.206 0.00 0.00 -0.150 OA BRANCH 15 18 ATOM 18 C LIG 1 -2.926 -1.926 0.843 0.00 0.00 +0.112 A ATOM 19 C LIG 1 -3.428 -0.746 0.284 0.00 0.00 +0.078 A ATOM 20 C LIG 1 -3.522 -0.623 -1.105 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -3.167 -1.714 -1.927 0.00 0.00 +0.162 A ATOM 22 C LIG 1 -2.690 -2.898 -1.351 0.00 0.00 +0.051 A ATOM 23 C LIG 1 -2.568 -3.006 0.035 0.00 0.00 +0.032 A BRANCH 20 24 ATOM 24 O LIG 1 -3.955 0.506 -1.752 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 -4.175 1.672 -0.967 0.00 0.00 +0.277 C ENDBRANCH 20 24 BRANCH 21 26 ATOM 26 O LIG 1 -3.279 -1.515 -3.282 0.00 0.00 -0.491 OA ATOM 27 C LIG 1 -3.335 -2.676 -4.101 0.00 0.00 +0.277 C ENDBRANCH 21 26 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 2 13 BRANCH 1 28 ATOM 28 O LIG 1 0.602 -1.030 0.989 0.00 0.00 -0.454 OA BRANCH 28 31 ATOM 29 C LIG 1 3.546 -0.969 -1.180 0.00 0.00 +0.124 A ATOM 30 C LIG 1 2.744 -1.024 -0.038 0.00 0.00 +0.091 A ATOM 31 C LIG 1 1.356 -0.940 -0.153 0.00 0.00 +0.132 A ATOM 32 C LIG 1 0.750 -0.838 -1.404 0.00 0.00 +0.046 A ATOM 33 C LIG 1 1.547 -0.785 -2.546 0.00 0.00 +0.007 A ATOM 34 C LIG 1 2.942 -0.847 -2.434 0.00 0.00 +0.046 A BRANCH 29 35 ATOM 35 O LIG 1 4.890 -1.044 -0.936 0.00 0.00 -0.492 OA BRANCH 35 36 ATOM 36 C LIG 1 5.761 -1.003 -2.066 0.00 0.00 +0.229 C BRANCH 36 38 ATOM 37 C LIG 1 7.516 -2.392 -0.874 0.00 0.00 +0.007 C ATOM 38 C LIG 1 7.207 -1.078 -1.577 0.00 0.00 +0.038 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 10