REMARK Name = BDB030796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.294 2.477 -2.344 0.00 0.00 +0.031 C ATOM 2 C LIG 1 -2.127 2.154 -1.103 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -3.632 2.423 -1.312 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -4.511 2.259 -0.075 0.00 0.00 +0.054 C ATOM 5 O LIG 1 -4.179 1.717 -2.445 0.00 0.00 -0.456 OA ATOM 6 C LIG 1 -3.881 0.432 -2.753 0.00 0.00 +0.347 C ATOM 7 O LIG 1 -3.871 0.071 -3.928 0.00 0.00 -0.245 OA ATOM 8 C LIG 1 -3.631 -0.527 -1.663 0.00 0.00 +0.145 A ATOM 9 C LIG 1 -4.441 -1.777 -1.685 0.00 0.00 +0.267 A ATOM 10 N LIG 1 -4.014 -2.839 -0.898 0.00 0.00 -0.310 N ATOM 11 C LIG 1 -2.985 -2.681 0.069 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -2.332 -1.444 0.183 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -1.394 -1.282 1.226 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -1.023 -2.323 2.086 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -1.677 -3.544 1.942 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -2.645 -3.722 0.949 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -4.745 -4.095 -0.991 0.00 0.00 +0.152 C ATOM 18 O LIG 1 -5.461 -1.836 -2.371 0.00 0.00 -0.267 OA ATOM 19 C LIG 1 -2.632 -0.340 -0.778 0.00 0.00 +0.056 A ATOM 20 N LIG 1 -1.836 0.792 -0.680 0.00 0.00 -0.336 N ATOM 21 H LIG 1 -0.897 0.649 -0.316 0.00 0.00 +0.147 HD ENDROOT BRANCH 14 22 ATOM 22 N LIG 1 -0.077 -2.154 3.116 0.00 0.00 -0.298 N ATOM 23 H LIG 1 0.125 -3.010 3.622 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 1.058 -1.298 3.138 0.00 0.00 +0.147 A ATOM 25 C LIG 1 1.776 -1.155 4.314 0.00 0.00 +0.099 A ATOM 26 CL LIG 1 1.406 -2.007 5.760 0.00 0.00 -0.078 Cl ATOM 27 C LIG 1 2.836 -0.284 4.267 0.00 0.00 +0.137 A ATOM 28 N LIG 1 3.191 0.402 3.163 0.00 0.00 -0.221 NA ATOM 29 C LIG 1 2.462 0.213 2.052 0.00 0.00 +0.220 A ATOM 30 N LIG 1 1.402 -0.610 2.026 0.00 0.00 -0.198 NA BRANCH 29 31 ATOM 31 N LIG 1 2.800 0.905 0.905 0.00 0.00 -0.299 N ATOM 32 C LIG 1 4.017 1.709 0.942 0.00 0.00 +0.111 C ATOM 33 C LIG 1 4.256 2.380 -0.416 0.00 0.00 +0.004 C ATOM 34 C LIG 1 5.492 3.277 -0.378 0.00 0.00 +0.009 C ATOM 35 C LIG 1 4.380 1.325 -1.527 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.377 0.163 -1.383 0.00 0.00 +0.004 C ATOM 37 C LIG 1 4.090 -1.144 -1.020 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.258 0.481 -0.380 0.00 0.00 +0.111 C ENDBRANCH 29 31 ENDBRANCH 22 24 ENDBRANCH 14 22 TORSDOF 3