REMARK Name = BDB048691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.385 2.443 -0.809 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.001 3.631 -0.622 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -0.234 4.685 -0.193 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -1.113 5.719 -0.084 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.362 5.249 -0.447 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -3.450 6.131 -0.423 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -3.218 7.458 -0.029 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.936 7.893 0.331 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.838 7.023 0.312 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -2.278 3.922 -0.778 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 1.067 2.330 -0.813 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 2.420 -0.760 0.985 0.00 0.00 +0.122 A ATOM 13 C LIG 1 2.028 0.122 -0.025 0.00 0.00 +0.050 A ATOM 14 C LIG 1 1.541 1.401 0.282 0.00 0.00 -0.027 A ATOM 15 C LIG 1 1.471 1.794 1.626 0.00 0.00 +0.005 A ATOM 16 C LIG 1 1.881 0.924 2.635 0.00 0.00 +0.004 A ATOM 17 C LIG 1 2.358 -0.350 2.316 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 2.882 -1.968 0.544 0.00 0.00 -0.478 OA BRANCH 18 19 ATOM 19 C LIG 1 2.736 -3.093 1.416 0.00 0.00 +0.281 C BRANCH 19 21 ATOM 20 C LIG 1 5.236 -3.598 1.138 0.00 0.00 +0.008 C ATOM 21 C LIG 1 4.073 -3.406 2.107 0.00 0.00 +0.053 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 2.274 -4.293 0.590 0.00 0.00 +0.346 C ATOM 23 O LIG 1 2.178 -4.378 -0.624 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 1.934 -5.352 1.360 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 1.622 -6.015 0.709 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -1.173 1.300 -1.264 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -1.919 0.650 -0.095 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -2.616 -0.639 -0.517 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -1.618 -1.583 -0.904 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.041 -2.802 -1.350 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -1.023 -3.628 -1.833 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -1.312 -4.905 -2.316 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.627 -5.365 -2.317 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.647 -4.546 -1.835 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.356 -3.266 -1.352 0.00 0.00 +0.045 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13