REMARK Name = BDB060154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.174 -0.593 1.715 0.00 0.00 -0.314 N ATOM 2 C LIG 1 -1.364 0.563 1.690 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.691 1.800 2.221 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -0.782 2.850 2.088 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.444 2.655 1.435 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.795 1.399 0.923 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -0.133 0.371 1.051 0.00 0.00 -0.002 A ATOM 8 C LIG 1 -0.067 -1.020 0.526 0.00 0.00 +0.058 C ATOM 9 C LIG 1 -1.315 -1.659 1.152 0.00 0.00 +0.111 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -3.545 -0.431 1.158 0.00 0.00 +0.192 C BRANCH 10 13 ATOM 11 C LIG 1 -5.701 -3.600 0.611 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.934 -2.457 0.347 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -4.368 -1.699 1.387 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -4.578 -2.136 2.709 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.336 -3.276 2.978 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.897 -4.007 1.930 0.00 0.00 +0.045 A BRANCH 11 18 ATOM 17 C LIG 1 -7.072 -5.318 -0.295 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -6.189 -4.224 -0.503 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 10 13 BRANCH 10 19 ATOM 19 C LIG 1 -3.520 0.088 -0.313 0.00 0.00 +0.257 C ATOM 20 N LIG 1 -4.194 1.311 -0.514 0.00 0.00 -0.188 N ATOM 21 H LIG 1 -4.593 1.831 0.264 0.00 0.00 +0.176 HD ATOM 22 O LIG 1 -2.920 -0.478 -1.221 0.00 0.00 -0.272 OA BRANCH 20 23 ATOM 23 S LIG 1 -4.335 2.105 -1.957 0.00 0.00 +0.042 S ATOM 24 O LIG 1 -5.032 3.332 -1.617 0.00 0.00 -0.155 OA ATOM 25 O LIG 1 -4.880 1.204 -2.948 0.00 0.00 -0.155 OA ATOM 26 C LIG 1 -2.651 2.526 -2.358 0.00 0.00 +0.218 C ENDBRANCH 20 23 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 6 27 ATOM 27 N LIG 1 1.994 1.194 0.129 0.00 0.00 -0.192 N BRANCH 27 28 ATOM 28 S LIG 1 3.439 1.772 0.851 0.00 0.00 +0.076 S ATOM 29 O LIG 1 3.527 3.168 0.470 0.00 0.00 -0.150 OA ATOM 30 O LIG 1 3.500 1.363 2.236 0.00 0.00 -0.150 OA BRANCH 28 31 ATOM 31 C LIG 1 4.775 0.906 -0.002 0.00 0.00 +0.115 A ATOM 32 C LIG 1 5.923 1.622 -0.427 0.00 0.00 -0.023 A ATOM 33 C LIG 1 6.211 3.058 -0.074 0.00 0.00 +0.046 C ATOM 34 C LIG 1 6.889 0.963 -1.209 0.00 0.00 +0.008 A ATOM 35 C LIG 1 6.763 -0.386 -1.538 0.00 0.00 -0.050 A ATOM 36 C LIG 1 7.830 -1.072 -2.341 0.00 0.00 +0.044 C ATOM 37 C LIG 1 5.675 -1.101 -1.035 0.00 0.00 +0.008 A ATOM 38 C LIG 1 4.683 -0.482 -0.250 0.00 0.00 -0.023 A ATOM 39 C LIG 1 3.583 -1.369 0.260 0.00 0.00 +0.046 C ENDBRANCH 28 31 ENDBRANCH 27 28 BRANCH 27 40 ATOM 40 C LIG 1 1.829 1.505 -1.320 0.00 0.00 +0.251 C BRANCH 40 41 ATOM 41 C LIG 1 1.465 2.930 -1.694 0.00 0.00 +0.324 C ATOM 42 O LIG 1 0.321 3.370 -1.676 0.00 0.00 -0.249 OA BRANCH 41 43 ATOM 43 O LIG 1 2.515 3.704 -2.076 0.00 0.00 -0.479 OA ATOM 44 H LIG 1 3.395 3.348 -1.828 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 27 40 ENDBRANCH 6 27 TORSDOF 11