REMARK Name = BDB010263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.005 -0.707 -1.944 0.00 0.00 +0.079 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.103 0.535 -1.203 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.308 -0.551 -1.216 0.00 0.00 +0.043 A ATOM 4 C LIG 1 -1.795 -1.761 -0.486 0.00 0.00 +0.263 A ATOM 5 O LIG 1 -1.187 -2.822 -0.635 0.00 0.00 -0.267 OA ATOM 6 N LIG 1 -2.962 -1.606 0.244 0.00 0.00 -0.249 N ATOM 7 C LIG 1 -3.653 -0.419 0.201 0.00 0.00 +0.115 A ATOM 8 C LIG 1 -4.898 -0.222 1.043 0.00 0.00 +0.086 C ATOM 9 N LIG 1 -3.285 0.597 -0.512 0.00 0.00 -0.238 NA BRANCH 6 10 ATOM 10 C LIG 1 -3.419 -2.737 0.968 0.00 0.00 +0.142 A ATOM 11 N LIG 1 -2.582 -3.296 1.873 0.00 0.00 -0.237 NA ATOM 12 C LIG 1 -3.020 -4.376 2.553 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -4.273 -4.939 2.384 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -5.134 -4.372 1.447 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -6.500 -4.938 1.203 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -4.695 -3.253 0.730 0.00 0.00 +0.050 A ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 C LIG 1 -1.779 1.833 -1.925 0.00 0.00 +0.056 C BRANCH 17 18 ATOM 18 C LIG 1 -1.388 2.945 -0.944 0.00 0.00 +0.006 C BRANCH 18 20 ATOM 19 C LIG 1 -1.967 4.904 -2.473 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -0.897 4.218 -1.639 0.00 0.00 -0.003 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 2 17 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 1.202 -0.354 -1.096 0.00 0.00 -0.025 A ATOM 22 C LIG 1 1.835 0.877 -1.214 0.00 0.00 +0.115 A ATOM 23 N LIG 1 2.910 1.262 -0.481 0.00 0.00 -0.255 NA ATOM 24 C LIG 1 3.374 0.386 0.449 0.00 0.00 +0.072 A ATOM 25 C LIG 1 2.804 -0.870 0.636 0.00 0.00 +0.028 A ATOM 26 C LIG 1 1.713 -1.242 -0.147 0.00 0.00 +0.007 A BRANCH 24 27 ATOM 27 C LIG 1 4.498 0.853 1.272 0.00 0.00 +0.011 A ATOM 28 C LIG 1 5.805 1.071 0.782 0.00 0.00 +0.030 A ATOM 29 C LIG 1 6.836 1.442 1.665 0.00 0.00 +0.012 A ATOM 30 C LIG 1 6.583 1.627 3.023 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.298 1.440 3.516 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.271 1.055 2.652 0.00 0.00 +0.011 A BRANCH 28 33 ATOM 33 C LIG 1 6.201 0.917 -0.632 0.00 0.00 +0.183 A ATOM 34 N LIG 1 5.357 1.192 -1.630 0.00 0.00 -0.271 N ATOM 35 H LIG 1 4.393 1.488 -1.555 0.00 0.00 +0.174 HD ATOM 36 C LIG 1 6.007 0.963 -2.777 0.00 0.00 +0.440 A ATOM 37 O LIG 1 5.551 1.082 -3.903 0.00 0.00 -0.221 OA ATOM 38 O LIG 1 7.285 0.564 -2.473 0.00 0.00 -0.295 OA ATOM 39 N LIG 1 7.372 0.553 -1.042 0.00 0.00 -0.054 NA ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 8