REMARK Name = BDB055022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.877 1.630 -1.223 0.00 0.00 +0.016 A ATOM 2 C LIG 1 3.085 2.487 -0.457 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.690 2.400 -0.517 0.00 0.00 +0.024 A ATOM 4 C LIG 1 1.069 1.461 -1.349 0.00 0.00 +0.033 A ATOM 5 C LIG 1 1.862 0.615 -2.124 0.00 0.00 +0.024 A ATOM 6 C LIG 1 3.259 0.700 -2.064 0.00 0.00 +0.017 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -0.334 1.436 -1.347 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -0.822 2.080 -0.727 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.185 0.582 -2.024 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -0.868 -0.320 -2.794 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.666 0.909 -1.761 0.00 0.00 +0.180 C BRANCH 11 12 ATOM 12 N LIG 1 -2.846 1.576 -0.442 0.00 0.00 -0.291 NA ATOM 13 C LIG 1 -4.212 2.121 -0.312 0.00 0.00 +0.116 C ATOM 14 C LIG 1 -5.113 0.955 0.105 0.00 0.00 +0.133 C ATOM 15 C LIG 1 -4.165 -0.005 0.822 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -2.775 0.602 0.666 0.00 0.00 +0.087 C BRANCH 14 17 ATOM 17 O LIG 1 -6.148 1.422 0.965 0.00 0.00 -0.374 OA BRANCH 17 18 ATOM 18 C LIG 1 -7.204 0.477 1.174 0.00 0.00 +0.175 C BRANCH 18 19 ATOM 19 C LIG 1 -8.259 0.572 0.057 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 -9.462 -0.243 0.300 0.00 0.00 -0.296 NA ATOM 21 C LIG 1 -10.517 0.100 -0.682 0.00 0.00 +0.112 C ATOM 22 C LIG 1 -11.768 -0.771 -0.494 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -11.449 -2.164 -0.611 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -10.470 -2.523 0.371 0.00 0.00 +0.175 C ATOM 25 C LIG 1 -9.185 -1.693 0.207 0.00 0.00 +0.112 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 S LIG 1 5.650 1.754 -1.159 0.00 0.00 -0.048 S BRANCH 26 33 ATOM 27 C LIG 1 7.873 -0.700 0.881 0.00 0.00 +0.153 A ATOM 28 C LIG 1 6.895 -1.328 1.732 0.00 0.00 +0.105 A ATOM 29 N LIG 1 5.596 -0.938 1.607 0.00 0.00 -0.234 N ATOM 30 C LIG 1 4.824 -1.643 2.491 0.00 0.00 +0.113 A ATOM 31 C LIG 1 5.645 -2.495 3.196 0.00 0.00 +0.022 A ATOM 32 N LIG 1 5.154 -0.013 0.755 0.00 0.00 -0.139 NA ATOM 33 C LIG 1 6.083 0.504 0.016 0.00 0.00 +0.214 A ATOM 34 C LIG 1 6.963 -2.297 2.715 0.00 0.00 +0.033 A ATOM 35 N LIG 1 7.415 0.191 0.056 0.00 0.00 -0.203 NA BRANCH 27 36 ATOM 36 N LIG 1 9.201 -1.067 0.988 0.00 0.00 -0.281 N ATOM 37 H LIG 1 9.412 -1.765 1.685 0.00 0.00 +0.155 HD BRANCH 36 43 ATOM 38 C LIG 1 13.787 -0.186 -0.630 0.00 0.00 +0.065 C ATOM 39 C LIG 1 12.331 -0.224 -0.381 0.00 0.00 +0.035 A ATOM 40 N LIG 1 11.447 0.551 -1.075 0.00 0.00 -0.280 N ATOM 41 H LIG 1 11.638 1.220 -1.814 0.00 0.00 +0.189 HD ATOM 42 N LIG 1 10.175 0.376 -0.701 0.00 0.00 -0.158 NA ATOM 43 C LIG 1 10.215 -0.538 0.269 0.00 0.00 +0.146 A ATOM 44 C LIG 1 11.556 -0.947 0.499 0.00 0.00 +0.068 A ENDBRANCH 36 43 ENDBRANCH 27 36 ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 11