REMARK Name = BDB024849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.053 1.249 -0.525 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.212 0.139 -0.328 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.741 -1.234 -0.522 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.748 -1.607 0.581 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.678 -2.343 -0.557 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.450 -1.883 -1.307 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.907 -0.685 -0.586 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.521 -0.500 -0.400 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.481 -1.316 -0.770 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.624 -0.704 -0.395 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.324 0.479 0.252 0.00 0.00 -0.319 N ATOM 12 C LIG 1 1.046 0.637 0.241 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.900 1.631 0.720 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.275 1.441 0.525 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.797 0.310 -0.121 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.736 2.430 -0.428 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 8.206 1.973 -1.145 0.00 0.00 +0.282 C ATOM 18 O LIG 1 7.318 0.882 -0.897 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.262 1.347 0.950 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.165 2.154 0.034 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.219 2.844 0.644 0.00 0.00 -0.301 N ATOM 22 C LIG 1 -3.554 2.712 2.056 0.00 0.00 +0.132 C ATOM 23 O LIG 1 -1.999 2.193 -1.185 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.256 3.396 -0.237 0.00 0.00 +0.135 C BRANCH 24 25 ATOM 25 C LIG 1 -5.284 2.342 -0.667 0.00 0.00 +0.174 C BRANCH 25 26 ATOM 26 O LIG 1 -6.105 1.949 0.435 0.00 0.00 -0.393 OA ATOM 27 H LIG 1 -6.702 2.695 0.625 0.00 0.00 +0.209 HD ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 28 ATOM 28 C LIG 1 -2.004 -1.216 -0.658 0.00 0.00 +0.096 C BRANCH 28 29 ATOM 29 C LIG 1 -2.525 -2.081 0.490 0.00 0.00 +0.132 C BRANCH 29 30 ATOM 30 N LIG 1 -3.937 -2.428 0.310 0.00 0.00 -0.315 N ATOM 31 C LIG 1 -4.256 -3.631 -0.324 0.00 0.00 +0.251 A ATOM 32 O LIG 1 -3.437 -4.455 -0.721 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -5.708 -3.901 -0.517 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -6.621 -3.005 -0.122 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -6.211 -1.769 0.492 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -4.912 -1.519 0.689 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9