REMARK Name = BDB004869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.764 -1.981 1.128 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.464 -0.940 1.742 0.00 0.00 +0.028 A ATOM 3 C LIG 1 2.704 -1.169 2.366 0.00 0.00 -0.029 A ATOM 4 C LIG 1 3.242 -2.460 2.359 0.00 0.00 +0.005 A ATOM 5 C LIG 1 2.550 -3.506 1.753 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.318 -3.267 1.142 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.221 -0.661 0.359 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -0.476 -1.821 0.475 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.883 -2.667 0.099 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -0.963 0.433 0.846 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -4.815 -0.213 -0.710 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -3.615 -0.109 -0.003 0.00 0.00 +0.058 A ATOM 13 C LIG 1 -2.477 -0.805 -0.428 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -2.531 -1.589 -1.585 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -3.729 -1.693 -2.293 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.869 -1.011 -1.854 0.00 0.00 +0.046 A BRANCH 11 17 ATOM 17 O LIG 1 -5.851 0.505 -0.182 0.00 0.00 -0.491 OA BRANCH 17 18 ATOM 18 C LIG 1 -7.095 0.481 -0.890 0.00 0.00 +0.244 C BRANCH 18 19 ATOM 19 C LIG 1 -8.092 1.377 -0.132 0.00 0.00 +0.124 C BRANCH 19 21 ATOM 20 C LIG 1 -10.177 0.240 -0.697 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -9.451 1.506 -0.682 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -9.469 2.140 -1.997 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 3.456 -0.022 3.006 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 4.087 0.821 1.994 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.479 0.913 1.185 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 5.380 0.463 1.564 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.999 1.210 0.538 0.00 0.00 +0.041 A ATOM 28 C LIG 1 7.290 0.802 0.147 0.00 0.00 +0.088 A ATOM 29 C LIG 1 7.917 1.523 -0.892 0.00 0.00 +0.063 A ATOM 30 C LIG 1 7.286 2.620 -1.509 0.00 0.00 +0.015 A ATOM 31 C LIG 1 6.025 3.026 -1.105 0.00 0.00 +0.002 A ATOM 32 N LIG 1 7.891 -0.242 0.762 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 7.228 -0.853 1.750 0.00 0.00 +0.223 A ATOM 34 C LIG 1 5.389 2.328 -0.088 0.00 0.00 +0.013 A ATOM 35 N LIG 1 6.007 -0.549 2.183 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 9.281 1.190 -1.414 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.802 1.843 -2.313 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 9.948 0.134 -0.870 0.00 0.00 -0.325 N ATOM 39 H LIG 1 9.541 -0.400 -0.107 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 10.877 -0.083 -1.199 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10