REMARK Name = BDB027148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.888 0.247 -1.189 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.254 -0.340 -2.445 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.951 0.516 -3.520 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.377 0.021 -4.691 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.108 -1.339 -4.812 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.421 -2.205 -3.768 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.997 -1.712 -2.594 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.686 -0.576 0.111 0.00 0.00 +0.186 C ATOM 9 O LIG 1 2.660 -1.029 0.724 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -3.724 0.419 0.241 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -3.265 -0.555 1.139 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -1.895 -0.858 1.164 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -0.953 -0.238 0.337 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.332 -0.812 0.648 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.107 -1.734 1.661 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -1.435 0.750 -0.549 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -1.224 -1.760 1.952 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -1.661 -2.348 2.649 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -2.802 1.062 -0.590 0.00 0.00 +0.004 A BRANCH 10 24 ATOM 20 C LIG 1 -8.983 0.671 1.859 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -7.736 -0.025 1.550 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -6.593 0.532 2.283 0.00 0.00 +0.084 C ATOM 23 C LIG 1 -5.711 1.465 1.454 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -5.197 0.797 0.163 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -6.078 -0.390 -0.263 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -7.536 -0.117 0.098 0.00 0.00 +0.084 C ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 3.322 0.619 -1.393 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 3.693 0.870 -0.471 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 4.156 -0.471 -1.921 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 5.653 -0.102 -1.898 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 6.222 0.162 -0.521 0.00 0.00 -0.046 A ATOM 32 C LIG 1 6.152 -0.808 0.488 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.674 -0.554 1.760 0.00 0.00 +0.013 A ATOM 34 C LIG 1 7.277 0.677 2.038 0.00 0.00 +0.037 A ATOM 35 C LIG 1 7.376 1.639 1.027 0.00 0.00 +0.013 A ATOM 36 C LIG 1 6.850 1.384 -0.242 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 7.838 0.999 3.377 0.00 0.00 +0.242 C ATOM 38 O LIG 1 8.684 1.871 3.531 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 7.341 0.310 4.449 0.00 0.00 -0.325 N ATOM 40 H LIG 1 6.459 -0.179 4.401 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 7.636 0.644 5.358 0.00 0.00 +0.145 HD ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9