REMARK Name = BDB013464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.575 -1.264 -3.197 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.365 -0.656 -2.542 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.092 -0.810 -1.169 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.083 -0.237 -0.630 0.00 0.00 +0.009 A ATOM 5 C LIG 1 0.969 0.516 -1.415 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.663 0.671 -2.776 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.481 0.095 -3.330 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.996 -1.598 -0.234 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 -2.385 -0.861 0.994 0.00 0.00 -0.171 NA ATOM 10 S LIG 1 -2.965 -1.830 2.268 0.00 0.00 +0.063 S ATOM 11 O LIG 1 -3.270 -0.993 3.409 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 -2.029 -2.931 2.406 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -4.483 -2.513 1.634 0.00 0.00 +0.126 A ATOM 14 C LIG 1 -5.548 -1.679 1.253 0.00 0.00 +0.056 A ATOM 15 C LIG 1 -6.727 -2.319 0.821 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -6.836 -3.712 0.760 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -5.765 -4.512 1.136 0.00 0.00 +0.002 A ATOM 18 N LIG 1 -5.449 -0.285 1.277 0.00 0.00 -0.330 N ATOM 19 C LIG 1 -6.657 0.492 1.545 0.00 0.00 +0.129 C ATOM 20 C LIG 1 -4.539 0.278 0.265 0.00 0.00 +0.122 C ATOM 21 C LIG 1 -4.589 -3.915 1.577 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -3.104 0.426 0.785 0.00 0.00 +0.128 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 2.245 1.160 -0.874 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 2.268 2.699 -0.990 0.00 0.00 -0.034 A ATOM 25 C LIG 1 1.261 3.558 -0.463 0.00 0.00 -0.017 A ATOM 26 C LIG 1 0.031 3.058 0.238 0.00 0.00 +0.046 C ATOM 27 C LIG 1 1.432 4.950 -0.658 0.00 0.00 +0.116 A ATOM 28 N LIG 1 0.624 5.998 -0.287 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 1.198 7.128 -0.676 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 2.349 6.802 -1.288 0.00 0.00 -0.247 N ATOM 31 C LIG 1 3.195 7.843 -1.807 0.00 0.00 +0.175 C ATOM 32 C LIG 1 2.552 5.448 -1.311 0.00 0.00 +0.089 A ATOM 33 C LIG 1 3.565 4.635 -1.811 0.00 0.00 +0.030 A ATOM 34 C LIG 1 3.396 3.259 -1.637 0.00 0.00 +0.007 A ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 2.725 0.742 0.526 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 3.118 -0.711 0.598 0.00 0.00 +0.308 C ATOM 37 O LIG 1 2.650 -1.505 1.403 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 4.081 -1.011 -0.318 0.00 0.00 -0.455 OA BRANCH 38 39 ATOM 39 C LIG 1 4.606 -2.334 -0.185 0.00 0.00 +0.327 C BRANCH 39 40 ATOM 40 C LIG 1 5.608 -2.443 0.975 0.00 0.00 +0.253 C ATOM 41 N LIG 1 6.010 -3.724 1.357 0.00 0.00 -0.305 N ATOM 42 C LIG 1 6.811 -3.850 2.564 0.00 0.00 +0.131 C ATOM 43 C LIG 1 5.352 -4.936 0.897 0.00 0.00 +0.131 C ATOM 44 O LIG 1 6.053 -1.428 1.517 0.00 0.00 -0.272 OA ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 5 23 TORSDOF 9