REMARK Name = BDB009262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.190 0.096 -2.345 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.944 -0.767 -1.537 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -3.160 -1.298 -1.999 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -3.587 -0.977 -3.296 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.846 -0.105 -4.095 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.655 0.439 -3.618 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 0.835 -0.095 -1.008 0.00 0.00 -0.311 N ATOM 8 H LIG 1 0.630 -1.086 -0.998 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 0.093 0.685 -1.875 0.00 0.00 +0.244 C ATOM 10 O LIG 1 0.452 1.784 -2.279 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 2.178 0.311 -0.630 0.00 0.00 +0.109 C BRANCH 11 12 ATOM 12 C LIG 1 2.641 -0.398 0.642 0.00 0.00 +0.054 C BRANCH 12 16 ATOM 13 C LIG 1 6.671 0.737 1.722 0.00 0.00 +0.162 A ATOM 14 C LIG 1 6.448 -0.427 0.960 0.00 0.00 +0.162 A ATOM 15 C LIG 1 5.139 -0.790 0.617 0.00 0.00 +0.053 A ATOM 16 C LIG 1 4.047 -0.011 1.028 0.00 0.00 -0.042 A ATOM 17 C LIG 1 4.280 1.145 1.778 0.00 0.00 +0.007 A ATOM 18 C LIG 1 5.582 1.515 2.125 0.00 0.00 +0.050 A BRANCH 14 19 ATOM 19 O LIG 1 7.569 -1.136 0.602 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 7.392 -2.293 -0.201 0.00 0.00 +0.277 C ENDBRANCH 14 19 BRANCH 13 21 ATOM 21 O LIG 1 7.981 1.022 2.018 0.00 0.00 -0.489 OA BRANCH 21 23 ATOM 22 C LIG 1 9.758 2.313 2.936 0.00 0.00 +0.048 C ATOM 23 C LIG 1 8.254 2.209 2.757 0.00 0.00 +0.226 C ENDBRANCH 21 23 ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 -3.959 -2.237 -1.121 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 -5.456 -1.942 -1.097 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -5.984 -0.863 -0.204 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -5.058 -0.041 0.647 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -5.724 1.198 1.254 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -7.117 0.875 1.780 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -8.012 0.334 0.664 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -7.316 -0.676 -0.206 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -8.182 -1.495 -1.090 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -9.398 -1.340 -1.130 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -7.541 -2.431 -1.856 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -8.116 -3.004 -2.464 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -6.204 -2.674 -1.870 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 9