REMARK Name = BDB005011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.054 2.089 -0.031 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -0.993 1.158 -0.128 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.113 1.236 0.712 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.179 2.262 1.655 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.141 3.191 1.765 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.030 3.106 0.928 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.122 0.265 0.534 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.953 -0.415 -0.195 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -4.261 0.090 1.300 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -4.562 0.691 2.323 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -5.175 -0.985 0.820 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -5.394 -1.208 -0.545 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -6.266 -2.221 -0.954 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.927 -3.019 -0.009 0.00 0.00 -0.022 A ATOM 15 C LIG 1 -6.722 -2.773 1.355 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -5.853 -1.760 1.768 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 -7.887 -4.087 -0.462 0.00 0.00 +0.191 C BRANCH 17 18 ATOM 18 O LIG 1 -9.112 -3.504 -0.885 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 -9.181 -2.627 -0.470 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 1.267 1.990 -0.929 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.412 1.582 -0.124 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.200 0.749 0.417 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 7.111 0.406 -0.233 0.00 0.00 +0.063 A ATOM 24 C LIG 1 5.941 0.811 -0.910 0.00 0.00 +0.088 A ATOM 25 C LIG 1 4.777 1.000 -0.140 0.00 0.00 +0.041 A ATOM 26 C LIG 1 3.613 1.389 -0.836 0.00 0.00 +0.130 A ATOM 27 N LIG 1 3.612 1.614 -2.159 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 4.763 1.420 -2.798 0.00 0.00 +0.223 A ATOM 29 C LIG 1 4.812 0.811 1.266 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.976 0.417 1.912 0.00 0.00 +0.002 A ATOM 31 N LIG 1 5.915 1.022 -2.246 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 7.121 0.210 1.162 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 8.473 0.307 -2.280 0.00 0.00 -0.325 N ATOM 34 H LIG 1 7.662 0.626 -2.803 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 9.359 0.186 -2.748 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 8.415 0.160 -0.926 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.421 -0.169 -0.305 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8