REMARK Name = BDB024402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.695 1.630 -0.334 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -1.917 1.491 0.806 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -2.388 1.541 1.698 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -2.292 1.754 -1.490 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.520 1.428 0.832 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.189 1.376 -0.306 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 1.541 1.329 -0.213 0.00 0.00 +0.121 A ATOM 8 C LIG 1 2.249 1.319 0.983 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.491 1.356 2.153 0.00 0.00 +0.013 A ATOM 10 C LIG 1 0.096 1.411 2.079 0.00 0.00 +0.044 A BRANCH 8 11 ATOM 11 C LIG 1 3.699 1.294 0.999 0.00 0.00 +0.021 A ATOM 12 C LIG 1 4.481 0.833 2.038 0.00 0.00 +0.117 A ATOM 13 N LIG 1 5.782 0.986 1.646 0.00 0.00 -0.262 N ATOM 14 N LIG 1 5.905 1.534 0.421 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 4.641 1.709 0.028 0.00 0.00 +0.143 A BRANCH 13 16 ATOM 16 C LIG 1 6.964 0.701 2.432 0.00 0.00 +0.239 C BRANCH 16 17 ATOM 17 C LIG 1 7.181 -0.785 2.592 0.00 0.00 +0.237 C ATOM 18 N LIG 1 7.858 -1.458 1.598 0.00 0.00 -0.300 N ATOM 19 C LIG 1 8.291 -0.928 0.312 0.00 0.00 +0.108 C ATOM 20 C LIG 1 9.170 -2.028 -0.266 0.00 0.00 +0.020 C ATOM 21 C LIG 1 8.534 -3.296 0.288 0.00 0.00 +0.020 C ATOM 22 C LIG 1 8.113 -2.885 1.692 0.00 0.00 +0.108 C ATOM 23 O LIG 1 6.771 -1.366 3.601 0.00 0.00 -0.274 OA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 -4.220 1.616 -0.011 0.00 0.00 +0.171 C BRANCH 24 25 ATOM 25 C LIG 1 -4.627 2.854 0.778 0.00 0.00 -0.022 A ATOM 26 C LIG 1 -5.435 2.724 1.919 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -5.811 3.849 2.656 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.393 5.117 2.256 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.607 5.263 1.115 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.231 4.140 0.376 0.00 0.00 +0.005 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 N LIG 1 -5.027 1.528 -1.247 0.00 0.00 -0.301 NA ATOM 32 H LIG 1 -4.476 1.949 -2.001 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -5.416 0.160 -1.604 0.00 0.00 +0.089 C BRANCH 33 35 ATOM 34 C LIG 1 -3.957 -0.220 -3.675 0.00 0.00 +0.014 C ATOM 35 C LIG 1 -4.332 -0.721 -2.275 0.00 0.00 +0.030 C BRANCH 35 36 ATOM 36 C LIG 1 -4.774 -2.180 -2.339 0.00 0.00 -0.043 A ATOM 37 C LIG 1 -5.948 -2.566 -3.005 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.333 -3.909 -3.050 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -5.547 -4.885 -2.433 0.00 0.00 +0.052 A ATOM 40 C LIG 1 -4.374 -4.513 -1.771 0.00 0.00 +0.019 A ATOM 41 C LIG 1 -3.990 -3.170 -1.726 0.00 0.00 +0.005 A BRANCH 39 42 ATOM 42 C LIG 1 -5.941 -6.263 -2.481 0.00 0.00 +0.099 C ATOM 43 N LIG 1 -6.262 -7.378 -2.518 0.00 0.00 -0.191 NA ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 11