REMARK Name = BDB060143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.052 0.676 0.294 0.00 0.00 -0.325 N ATOM 2 C LIG 1 0.854 0.228 0.891 0.00 0.00 +0.035 A ATOM 3 C LIG 1 0.494 0.298 2.228 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -0.757 -0.186 2.624 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.643 -0.728 1.683 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.290 -0.782 0.330 0.00 0.00 +0.057 A ATOM 7 C LIG 1 -0.045 -0.300 -0.045 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.558 -0.213 -1.406 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.028 0.035 -1.040 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 3.278 0.581 1.083 0.00 0.00 +0.140 C BRANCH 10 13 ATOM 11 C LIG 1 6.669 0.957 -0.645 0.00 0.00 +0.121 A ATOM 12 C LIG 1 5.580 0.398 0.027 0.00 0.00 +0.050 A ATOM 13 C LIG 1 4.457 1.182 0.347 0.00 0.00 -0.027 A ATOM 14 C LIG 1 4.444 2.537 -0.017 0.00 0.00 +0.005 A ATOM 15 C LIG 1 5.528 3.097 -0.688 0.00 0.00 +0.004 A ATOM 16 C LIG 1 6.635 2.308 -0.998 0.00 0.00 +0.045 A BRANCH 11 17 ATOM 17 O LIG 1 7.812 0.302 -1.012 0.00 0.00 -0.492 OA BRANCH 17 19 ATOM 18 C LIG 1 9.236 -1.599 -1.198 0.00 0.00 +0.048 C ATOM 19 C LIG 1 7.900 -1.085 -0.693 0.00 0.00 +0.225 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 N LIG 1 -2.181 -1.323 -0.652 0.00 0.00 -0.192 N BRANCH 20 21 ATOM 21 S LIG 1 -3.253 -0.255 -1.450 0.00 0.00 +0.076 S ATOM 22 O LIG 1 -2.509 0.892 -1.927 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 -4.014 -1.024 -2.414 0.00 0.00 -0.150 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.393 0.303 -0.147 0.00 0.00 +0.115 A ATOM 25 C LIG 1 -4.101 1.477 0.601 0.00 0.00 -0.023 A ATOM 26 C LIG 1 -2.947 2.410 0.331 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -4.976 1.866 1.636 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -6.126 1.140 1.937 0.00 0.00 -0.050 A ATOM 29 C LIG 1 -7.056 1.597 3.022 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -6.443 0.035 1.149 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -5.605 -0.397 0.100 0.00 0.00 -0.023 A ATOM 32 C LIG 1 -6.133 -1.538 -0.731 0.00 0.00 +0.046 C ENDBRANCH 21 24 ENDBRANCH 20 21 BRANCH 20 33 ATOM 33 C LIG 1 -2.621 -2.717 -0.427 0.00 0.00 +0.251 C BRANCH 33 34 ATOM 34 C LIG 1 -2.864 -3.502 -1.693 0.00 0.00 +0.324 C ATOM 35 O LIG 1 -3.732 -4.350 -1.844 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.969 -3.259 -2.673 0.00 0.00 -0.479 OA ATOM 37 H LIG 1 -2.309 -3.760 -3.442 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 20 33 ENDBRANCH 6 20 TORSDOF 10