REMARK Name = BDB013475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.439 -1.849 -0.371 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.692 -3.307 0.051 0.00 0.00 -0.034 A ATOM 3 C LIG 1 -0.666 -4.258 0.321 0.00 0.00 -0.017 A ATOM 4 C LIG 1 0.799 -3.930 0.282 0.00 0.00 +0.046 C ATOM 5 C LIG 1 -1.074 -5.569 0.671 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -0.319 -6.675 0.982 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 -1.137 -7.686 1.232 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 -2.393 -7.228 1.092 0.00 0.00 -0.247 N ATOM 9 C LIG 1 -3.497 -8.125 1.300 0.00 0.00 +0.175 C ATOM 10 C LIG 1 -2.420 -5.907 0.736 0.00 0.00 +0.089 A ATOM 11 C LIG 1 -3.443 -5.003 0.468 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -3.050 -3.706 0.126 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 C LIG 1 -0.591 -1.040 0.608 0.00 0.00 -0.039 A ATOM 14 C LIG 1 0.707 -0.597 0.310 0.00 0.00 +0.009 A ATOM 15 C LIG 1 1.450 0.205 1.198 0.00 0.00 -0.028 A ATOM 16 C LIG 1 0.875 0.554 2.438 0.00 0.00 -0.046 A ATOM 17 C LIG 1 1.613 1.396 3.444 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -0.413 0.098 2.751 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -1.133 -0.689 1.851 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 2.866 0.647 0.848 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 3.278 0.361 -0.548 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 4.836 -0.251 -0.762 0.00 0.00 +0.063 S ATOM 23 O LIG 1 5.050 -0.468 -2.179 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 4.982 -1.350 0.174 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 5.975 1.024 -0.250 0.00 0.00 +0.126 A ATOM 26 C LIG 1 5.690 2.407 -0.264 0.00 0.00 +0.056 A ATOM 27 C LIG 1 6.705 3.239 0.266 0.00 0.00 +0.025 A ATOM 28 C LIG 1 7.920 2.747 0.759 0.00 0.00 +0.002 A ATOM 29 C LIG 1 8.170 1.387 0.750 0.00 0.00 +0.002 A ATOM 30 N LIG 1 4.504 2.975 -0.734 0.00 0.00 -0.330 N ATOM 31 C LIG 1 4.185 4.380 -0.494 0.00 0.00 +0.129 C ATOM 32 C LIG 1 3.890 2.384 -1.936 0.00 0.00 +0.122 C ATOM 33 C LIG 1 7.200 0.527 0.251 0.00 0.00 +0.030 A ATOM 34 C LIG 1 2.817 1.361 -1.551 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 13 BRANCH 1 35 ATOM 35 C LIG 1 -1.053 -1.774 -1.862 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -1.129 -0.362 -2.390 0.00 0.00 +0.308 C ATOM 37 O LIG 1 -0.179 0.246 -2.867 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.394 0.126 -2.279 0.00 0.00 -0.465 OA BRANCH 38 39 ATOM 39 C LIG 1 -2.587 1.486 -2.702 0.00 0.00 +0.233 C BRANCH 39 40 ATOM 40 C LIG 1 -2.155 2.478 -1.621 0.00 0.00 +0.056 C BRANCH 40 41 ATOM 41 C LIG 1 -2.930 2.328 -0.302 0.00 0.00 +0.087 C BRANCH 41 42 ATOM 42 N LIG 1 -4.387 2.526 -0.447 0.00 0.00 -0.303 NA BRANCH 42 44 ATOM 43 C LIG 1 -6.069 4.182 -1.234 0.00 0.00 +0.020 C ATOM 44 C LIG 1 -4.711 3.961 -0.573 0.00 0.00 +0.081 C ENDBRANCH 42 44 BRANCH 42 45 ATOM 45 C LIG 1 -5.108 1.936 0.700 0.00 0.00 +0.081 C ATOM 46 C LIG 1 -5.197 0.416 0.608 0.00 0.00 +0.020 C ENDBRANCH 42 45 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 13