REMARK Name = BDB058309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.659 0.732 -0.733 0.00 0.00 +0.113 A ATOM 2 N LIG 1 1.292 0.264 0.510 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.567 -1.041 0.870 0.00 0.00 +0.258 A ATOM 4 O LIG 1 1.249 -1.537 1.951 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.282 -1.874 -0.132 0.00 0.00 +0.049 A ATOM 6 C LIG 1 2.603 -1.294 -1.302 0.00 0.00 +0.055 A ATOM 7 N LIG 1 2.271 0.002 -1.606 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 3.387 -2.003 -2.407 0.00 0.00 +0.032 C ATOM 9 C LIG 1 4.604 -1.185 -2.857 0.00 0.00 +0.014 C ATOM 10 C LIG 1 2.479 -2.317 -3.598 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 1.336 2.182 -1.094 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 1.647 2.546 -2.548 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 -0.081 4.410 -2.778 0.00 0.00 +0.004 C ATOM 14 C LIG 1 1.386 4.018 -2.873 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 0.591 1.078 1.502 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 -0.925 0.969 1.470 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -1.652 1.445 2.573 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.049 1.399 2.587 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.761 0.891 1.492 0.00 0.00 -0.017 A ATOM 20 C LIG 1 -3.036 0.408 0.394 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -1.638 0.450 0.380 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 -5.231 0.873 1.492 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -6.030 1.664 0.635 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -7.430 1.526 0.653 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -8.048 0.632 1.528 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -7.275 -0.137 2.389 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -5.884 -0.020 2.368 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 -5.494 2.667 -0.310 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -4.375 3.357 -0.057 0.00 0.00 -0.271 N ATOM 30 H LIG 1 -3.751 3.304 0.729 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 -4.177 4.177 -1.098 0.00 0.00 +0.440 A ATOM 32 O LIG 1 -3.244 4.953 -1.230 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 -5.201 4.000 -1.992 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 -6.053 2.997 -1.428 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 2.565 -3.284 0.306 0.00 0.00 +0.163 C BRANCH 35 36 ATOM 36 C LIG 1 3.732 -3.311 1.272 0.00 0.00 +0.312 C ATOM 37 O LIG 1 4.569 -2.428 1.412 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 3.748 -4.511 1.927 0.00 0.00 -0.461 OA BRANCH 38 39 ATOM 39 C LIG 1 4.821 -4.723 2.864 0.00 0.00 +0.177 C ATOM 40 C LIG 1 5.942 -5.608 2.392 0.00 0.00 +0.048 C ATOM 41 C LIG 1 4.946 -6.127 3.388 0.00 0.00 +0.048 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 12