REMARK Name = BDB001938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.204 2.020 -0.537 0.00 0.00 +0.019 A ATOM 2 C LIG 1 0.733 0.948 -0.477 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 1.787 1.237 -1.329 0.00 0.00 +0.102 A ATOM 4 N LIG 1 1.494 2.453 -1.909 0.00 0.00 -0.356 N ATOM 5 H LIG 1 2.096 2.904 -2.588 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 0.287 2.920 -1.461 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.445 1.038 0.654 0.00 0.00 +0.220 A ATOM 8 N LIG 1 -2.240 1.022 0.070 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 -1.484 2.140 0.148 0.00 0.00 +0.080 A ATOM 10 C LIG 1 -1.876 3.275 0.834 0.00 0.00 -0.006 A ATOM 11 C LIG 1 -1.063 4.517 0.979 0.00 0.00 +0.047 C ATOM 12 C LIG 1 -3.134 3.187 1.389 0.00 0.00 +0.120 A ATOM 13 N LIG 1 -3.922 2.099 1.314 0.00 0.00 -0.222 NA BRANCH 7 14 ATOM 14 N LIG 1 -4.174 -0.140 0.510 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -3.619 -0.779 -0.039 0.00 0.00 +0.155 HD BRANCH 14 18 ATOM 16 C LIG 1 -5.126 -2.739 -0.381 0.00 0.00 +0.046 C ATOM 17 C LIG 1 -5.910 -1.854 0.553 0.00 0.00 -0.028 A ATOM 18 C LIG 1 -5.416 -0.593 0.974 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -6.221 0.170 1.834 0.00 0.00 +0.025 A ATOM 20 C LIG 1 -7.465 -0.290 2.280 0.00 0.00 +0.022 A ATOM 21 C LIG 1 -7.930 -1.529 1.865 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -9.458 -2.100 2.410 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -7.162 -2.310 1.007 0.00 0.00 +0.025 A ENDBRANCH 14 18 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 3.004 0.524 -1.653 0.00 0.00 +0.261 C ATOM 25 N LIG 1 3.123 -0.715 -1.068 0.00 0.00 -0.301 N ATOM 26 H LIG 1 2.253 -1.160 -0.806 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 3.847 0.995 -2.410 0.00 0.00 -0.269 OA BRANCH 25 28 ATOM 28 CA LIG 1 4.182 -1.637 -1.460 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 5.545 -1.195 -0.957 0.00 0.00 -0.024 A ATOM 30 C LIG 1 5.745 -0.828 0.385 0.00 0.00 +0.025 A ATOM 31 C LIG 1 7.009 -0.441 0.830 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 7.235 0.003 2.477 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 8.090 -0.415 -0.048 0.00 0.00 +0.020 A ATOM 34 C LIG 1 7.905 -0.775 -1.382 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.641 -1.163 -1.833 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 3.867 -3.057 -0.942 0.00 0.00 +0.182 C BRANCH 36 37 ATOM 37 O LIG 1 2.563 -3.459 -1.374 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 2.445 -4.383 -1.089 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 8