REMARK Name = BDB003052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.638 -1.515 0.805 0.00 0.00 -0.196 N ATOM 2 C LIG 1 -4.140 -1.370 2.111 0.00 0.00 +0.280 A ATOM 3 O LIG 1 -5.303 -1.141 2.435 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 -3.163 -1.503 3.216 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.827 -1.763 2.937 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -0.899 -1.893 3.978 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -1.318 -1.753 5.303 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.657 -1.486 5.590 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.464 -1.888 1.527 0.00 0.00 +0.154 A ATOM 10 C LIG 1 -3.578 -1.361 4.550 0.00 0.00 +0.014 A ATOM 11 N LIG 1 -2.307 -1.782 0.547 0.00 0.00 -0.158 NA ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -0.018 -2.150 1.153 0.00 0.00 +0.267 C ATOM 13 N LIG 1 0.708 -1.094 0.623 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.178 0.243 0.340 0.00 0.00 +0.123 C ATOM 15 C LIG 1 0.833 0.865 -0.907 0.00 0.00 +0.103 C ATOM 16 N LIG 1 2.309 0.917 -0.889 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 2.894 -0.020 0.096 0.00 0.00 +0.103 C ATOM 18 C LIG 1 2.098 -1.330 0.234 0.00 0.00 +0.123 C ATOM 19 O LIG 1 0.431 -3.268 1.374 0.00 0.00 -0.268 OA BRANCH 16 20 ATOM 20 C LIG 1 2.802 2.289 -0.706 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 4.291 2.437 -0.941 0.00 0.00 -0.030 A ATOM 22 C LIG 1 5.104 3.047 0.029 0.00 0.00 +0.054 A ATOM 23 C LIG 1 6.448 3.189 -0.247 0.00 0.00 +0.167 A ATOM 24 O LIG 1 7.370 3.759 0.574 0.00 0.00 -0.453 OA ATOM 25 C LIG 1 8.560 3.647 -0.234 0.00 0.00 +0.466 C ATOM 26 O LIG 1 8.335 2.990 -1.499 0.00 0.00 -0.453 OA ATOM 27 C LIG 1 6.998 2.753 -1.429 0.00 0.00 +0.166 A ATOM 28 C LIG 1 6.235 2.153 -2.404 0.00 0.00 +0.050 A ATOM 29 C LIG 1 4.868 2.000 -2.157 0.00 0.00 +0.009 A ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 9 12 BRANCH 1 33 ATOM 30 C LIG 1 -5.911 -1.106 -2.817 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -6.511 -0.890 -1.580 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -5.785 -1.028 -0.387 0.00 0.00 +0.031 A ATOM 33 C LIG 1 -4.432 -1.384 -0.395 0.00 0.00 +0.069 A ATOM 34 C LIG 1 -3.846 -1.604 -1.657 0.00 0.00 +0.031 A ATOM 35 C LIG 1 -4.571 -1.469 -2.852 0.00 0.00 +0.048 A BRANCH 30 37 ATOM 36 C LIG 1 -6.152 -1.136 -5.179 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -6.730 -0.930 -3.897 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 1 33 TORSDOF 5