REMARK Name = BDB052205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.154 -2.808 -0.104 0.00 0.00 +0.139 A ATOM 2 C LIG 1 0.388 -1.595 0.562 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.674 -0.707 0.651 0.00 0.00 +0.152 A ATOM 4 O LIG 1 -0.658 0.518 1.283 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 -1.890 1.120 1.036 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -2.870 0.146 0.398 0.00 0.00 +0.117 C ATOM 7 C LIG 1 -3.947 -0.308 1.386 0.00 0.00 +0.033 C ATOM 8 C LIG 1 -3.434 0.908 -0.800 0.00 0.00 +0.169 C ATOM 9 O LIG 1 -3.458 0.456 -1.948 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 -3.975 2.301 -0.538 0.00 0.00 +0.192 C ATOM 11 C LIG 1 -3.330 3.004 0.635 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -3.738 4.080 1.066 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 -2.093 2.429 1.209 0.00 0.00 +0.090 C ATOM 14 C LIG 1 -1.928 -0.982 0.090 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -2.147 -2.180 -0.560 0.00 0.00 +0.128 A ATOM 16 C LIG 1 -1.101 -3.092 -0.679 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 1.701 -1.289 1.173 0.00 0.00 +0.251 C ATOM 18 N LIG 1 2.186 -0.020 0.942 0.00 0.00 -0.307 N ATOM 19 H LIG 1 1.688 0.590 0.309 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 2.295 -2.134 1.833 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 3.509 0.375 1.363 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 4.481 0.290 0.213 0.00 0.00 -0.028 A ATOM 23 C LIG 1 4.836 1.434 -0.515 0.00 0.00 +0.038 A ATOM 24 C LIG 1 5.724 1.326 -1.596 0.00 0.00 +0.127 A ATOM 25 C LIG 1 6.260 0.085 -1.962 0.00 0.00 +0.033 A ATOM 26 C LIG 1 5.900 -1.054 -1.243 0.00 0.00 +0.003 A ATOM 27 C LIG 1 5.015 -0.952 -0.167 0.00 0.00 +0.005 A BRANCH 24 28 ATOM 28 N LIG 1 6.090 2.528 -2.356 0.00 0.00 +0.056 N ATOM 29 O LIG 1 5.537 3.594 -2.048 0.00 0.00 -0.126 OA ATOM 30 O LIG 1 6.928 2.408 -3.261 0.00 0.00 -0.126 OA ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 31 ATOM 31 C LIG 1 -5.480 2.321 -0.457 0.00 0.00 +0.148 C ATOM 32 O LIG 1 -6.109 1.427 0.108 0.00 0.00 -0.296 OA ATOM 33 C LIG 1 -6.189 3.504 -1.065 0.00 0.00 +0.087 C ENDBRANCH 10 31 BRANCH 1 35 ATOM 34 C LIG 1 1.076 -4.790 0.617 0.00 0.00 +0.277 C ATOM 35 O LIG 1 1.171 -3.706 -0.309 0.00 0.00 -0.494 OA ENDBRANCH 1 35 BRANCH 15 36 ATOM 36 O LIG 1 -3.384 -2.450 -1.048 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 -3.338 -3.217 -1.643 0.00 0.00 +0.292 HD ENDBRANCH 15 36 TORSDOF 7