REMARK Name = BDB060202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.816 -0.731 2.317 0.00 0.00 -0.039 A ATOM 2 C LIG 1 1.156 0.383 1.775 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.167 0.714 2.129 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.827 -0.070 3.096 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -2.241 0.201 3.522 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -0.163 -1.178 3.648 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.139 -1.503 3.267 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 3.236 -1.117 1.890 0.00 0.00 +0.060 C BRANCH 8 17 ATOM 9 C LIG 1 4.948 -0.359 -1.521 0.00 0.00 +0.150 A ATOM 10 C LIG 1 3.973 -0.851 -2.412 0.00 0.00 +0.154 A ATOM 11 N LIG 1 3.920 -0.920 -3.785 0.00 0.00 -0.126 NA ATOM 12 N LIG 1 2.767 -1.474 -4.136 0.00 0.00 -0.065 NA ATOM 13 N LIG 1 2.090 -1.739 -3.004 0.00 0.00 -0.247 N ATOM 14 C LIG 1 0.783 -2.336 -3.069 0.00 0.00 +0.175 C ATOM 15 C LIG 1 2.809 -1.403 -1.889 0.00 0.00 +0.093 A ATOM 16 C LIG 1 2.558 -1.513 -0.518 0.00 0.00 +0.034 A ATOM 17 C LIG 1 3.515 -0.998 0.384 0.00 0.00 -0.034 A ATOM 18 C LIG 1 4.699 -0.447 -0.136 0.00 0.00 +0.052 A BRANCH 9 20 ATOM 19 C LIG 1 6.387 0.459 -3.228 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.176 0.210 -1.843 0.00 0.00 -0.493 OA ENDBRANCH 9 20 ENDBRANCH 8 17 BRANCH 8 21 ATOM 21 C LIG 1 4.271 -0.532 2.870 0.00 0.00 +0.133 C BRANCH 21 22 ATOM 22 C LIG 1 4.318 0.972 2.943 0.00 0.00 +0.306 C ATOM 23 O LIG 1 3.977 1.786 2.105 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 4.876 1.392 4.098 0.00 0.00 -0.481 OA ATOM 25 H LIG 1 4.870 2.369 4.017 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 8 21 ENDBRANCH 1 8 BRANCH 3 26 ATOM 26 C LIG 1 -0.810 1.907 1.450 0.00 0.00 +0.144 C BRANCH 26 27 ATOM 27 N LIG 1 -1.962 1.554 0.559 0.00 0.00 -0.172 NA ATOM 28 S LIG 1 -1.475 1.257 -1.052 0.00 0.00 +0.065 S ATOM 29 O LIG 1 -1.510 2.536 -1.736 0.00 0.00 -0.153 OA ATOM 30 O LIG 1 -0.263 0.466 -1.042 0.00 0.00 -0.153 OA ATOM 31 C LIG 1 -2.677 0.224 -1.846 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.705 -0.448 -1.192 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -4.483 -1.369 -1.908 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -4.293 -1.555 -3.278 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.304 -0.839 -3.943 0.00 0.00 +0.002 A ATOM 36 O LIG 1 -3.966 -0.332 0.141 0.00 0.00 -0.487 OA ATOM 37 C LIG 1 -4.872 0.734 0.489 0.00 0.00 +0.172 C ATOM 38 C LIG 1 -6.303 0.468 0.019 0.00 0.00 +0.052 C ATOM 39 C LIG 1 -4.389 2.128 0.070 0.00 0.00 +0.061 C ATOM 40 C LIG 1 -2.491 0.040 -3.229 0.00 0.00 +0.032 A ATOM 41 C LIG 1 -3.079 2.526 0.737 0.00 0.00 +0.113 C ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8