REMARK Name = BDB013476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.581 -1.581 1.063 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.179 -2.912 0.558 0.00 0.00 -0.034 A ATOM 3 C LIG 1 0.823 -3.540 -0.672 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -0.214 -2.996 -1.611 0.00 0.00 +0.046 C ATOM 5 C LIG 1 1.455 -4.771 -0.976 0.00 0.00 +0.116 A ATOM 6 N LIG 1 1.302 -5.598 -2.064 0.00 0.00 -0.129 NA ATOM 7 N LIG 1 2.104 -6.642 -1.914 0.00 0.00 -0.065 NA ATOM 8 N LIG 1 2.749 -6.486 -0.745 0.00 0.00 -0.247 N ATOM 9 C LIG 1 3.694 -7.481 -0.313 0.00 0.00 +0.175 C ATOM 10 C LIG 1 2.389 -5.327 -0.112 0.00 0.00 +0.089 A ATOM 11 C LIG 1 2.770 -4.730 1.085 0.00 0.00 +0.030 A ATOM 12 C LIG 1 2.145 -3.519 1.396 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 17 ATOM 13 C LIG 1 -5.269 -1.856 1.562 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -3.779 -1.733 1.404 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -3.188 -0.796 0.534 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -1.780 -0.754 0.418 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -0.948 -1.606 1.158 0.00 0.00 -0.039 A ATOM 18 C LIG 1 -1.560 -2.514 2.034 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -2.950 -2.578 2.154 0.00 0.00 +0.004 A BRANCH 15 20 ATOM 20 C LIG 1 -3.998 0.163 -0.322 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 N LIG 1 -3.571 1.575 -0.173 0.00 0.00 -0.171 NA ATOM 22 S LIG 1 -3.894 2.590 -1.496 0.00 0.00 +0.063 S ATOM 23 O LIG 1 -3.427 1.883 -2.675 0.00 0.00 -0.153 OA ATOM 24 O LIG 1 -3.398 3.920 -1.211 0.00 0.00 -0.153 OA ATOM 25 C LIG 1 -5.670 2.639 -1.573 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -6.428 3.128 -0.493 0.00 0.00 +0.056 A ATOM 27 C LIG 1 -7.824 3.172 -0.672 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -8.436 2.741 -1.854 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -7.665 2.258 -2.901 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.838 3.539 0.707 0.00 0.00 -0.330 N ATOM 31 C LIG 1 -6.483 4.613 1.461 0.00 0.00 +0.129 C ATOM 32 C LIG 1 -5.264 2.447 1.513 0.00 0.00 +0.122 C ATOM 33 C LIG 1 -6.281 2.210 -2.765 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -3.794 2.175 1.171 0.00 0.00 +0.128 C ENDBRANCH 20 21 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 C LIG 1 1.185 -0.362 0.336 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 2.657 -0.190 0.626 0.00 0.00 +0.308 C ATOM 37 O LIG 1 3.214 -0.508 1.669 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.261 0.430 -0.427 0.00 0.00 -0.465 OA BRANCH 38 39 ATOM 39 C LIG 1 4.670 0.678 -0.290 0.00 0.00 +0.232 C BRANCH 39 40 ATOM 40 C LIG 1 4.899 2.000 0.440 0.00 0.00 +0.042 C BRANCH 40 41 ATOM 41 C LIG 1 6.380 2.330 0.644 0.00 0.00 +0.019 C BRANCH 41 42 ATOM 42 C LIG 1 7.110 2.647 -0.669 0.00 0.00 +0.084 C BRANCH 42 43 ATOM 43 N LIG 1 8.479 3.146 -0.449 0.00 0.00 -0.308 NA ATOM 44 C LIG 1 9.376 2.100 0.047 0.00 0.00 +0.104 C ATOM 45 C LIG 1 9.015 3.711 -1.692 0.00 0.00 +0.104 C ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 12