REMARK Name = BDB020384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.068 0.572 0.926 0.00 0.00 +0.179 C ATOM 2 N LIG 1 0.890 0.116 2.077 0.00 0.00 -0.286 N ATOM 3 C LIG 1 2.161 -0.443 1.964 0.00 0.00 +0.233 C ATOM 4 O LIG 1 2.670 -1.039 2.922 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 0.151 -0.073 3.334 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -1.106 -0.940 3.116 0.00 0.00 +0.128 C ATOM 7 N LIG 1 -1.911 -0.469 1.970 0.00 0.00 -0.282 N ATOM 8 C LIG 1 -1.414 0.758 1.328 0.00 0.00 +0.141 C ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -2.662 -1.345 1.235 0.00 0.00 +0.282 C ATOM 10 O LIG 1 -2.969 -2.509 1.865 0.00 0.00 -0.455 OA ATOM 11 C LIG 1 -3.431 -3.365 0.820 0.00 0.00 +0.234 C ATOM 12 C LIG 1 -3.917 -2.365 -0.240 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -5.383 -1.930 -0.108 0.00 0.00 +0.040 C ATOM 14 C LIG 1 -3.640 -2.852 -1.663 0.00 0.00 +0.040 C ATOM 15 N LIG 1 -3.084 -1.168 0.021 0.00 0.00 -0.226 NA BRANCH 11 16 ATOM 16 C LIG 1 -4.428 -4.391 1.313 0.00 0.00 -0.005 A ATOM 17 C LIG 1 -4.629 -5.573 0.581 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -5.551 -6.530 1.010 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.282 -6.320 2.177 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.091 -5.155 2.916 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.170 -4.197 2.488 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 7 9 BRANCH 1 24 ATOM 22 N LIG 1 0.073 2.115 -0.968 0.00 0.00 -0.310 N ATOM 23 H LIG 1 -0.545 1.435 -1.396 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 0.521 1.910 0.323 0.00 0.00 +0.235 C ATOM 25 O LIG 1 1.187 2.738 0.939 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 0.231 3.386 -1.635 0.00 0.00 +0.139 C BRANCH 26 31 ATOM 27 C LIG 1 -3.263 4.905 -1.489 0.00 0.00 +0.132 A ATOM 28 C LIG 1 -3.073 5.965 -0.597 0.00 0.00 +0.078 A ATOM 29 C LIG 1 -1.809 6.180 -0.033 0.00 0.00 +0.017 A ATOM 30 C LIG 1 -0.742 5.345 -0.372 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -0.916 4.303 -1.295 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -2.185 4.093 -1.855 0.00 0.00 +0.051 A BRANCH 28 33 ATOM 33 C LIG 1 -4.196 6.843 -0.199 0.00 0.00 +0.245 C ATOM 34 O LIG 1 -5.262 6.405 0.209 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -3.961 8.187 -0.296 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -4.764 8.787 -0.155 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -3.202 8.543 -0.863 0.00 0.00 +0.145 HD ENDBRANCH 28 33 BRANCH 27 39 ATOM 38 C LIG 1 -5.174 3.628 -1.454 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -4.474 4.699 -2.095 0.00 0.00 -0.494 OA ENDBRANCH 27 39 ENDBRANCH 26 31 ENDBRANCH 22 26 ENDBRANCH 1 24 BRANCH 3 40 ATOM 40 C LIG 1 2.945 -0.299 0.615 0.00 0.00 +0.143 C BRANCH 40 41 ATOM 41 N LIG 1 2.296 -1.169 -0.399 0.00 0.00 -0.298 NA ATOM 42 C LIG 1 2.507 -0.735 -1.774 0.00 0.00 +0.105 C ATOM 43 C LIG 1 2.594 -2.590 -0.238 0.00 0.00 +0.105 C ENDBRANCH 40 41 BRANCH 40 44 ATOM 44 C LIG 1 4.454 -0.520 0.903 0.00 0.00 +0.028 C BRANCH 44 45 ATOM 45 C LIG 1 5.392 -0.213 -0.265 0.00 0.00 +0.003 C BRANCH 45 46 ATOM 46 C LIG 1 6.851 -0.135 0.201 0.00 0.00 +0.015 C BRANCH 46 47 ATOM 47 C LIG 1 7.823 0.223 -0.935 0.00 0.00 +0.084 C BRANCH 47 48 ATOM 48 N LIG 1 7.803 -0.714 -2.072 0.00 0.00 -0.308 NA ATOM 49 C LIG 1 8.579 -0.162 -3.187 0.00 0.00 +0.104 C ATOM 50 C LIG 1 8.336 -2.028 -1.705 0.00 0.00 +0.104 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 40 44 ENDBRANCH 3 40 TORSDOF 14