REMARK Name = BDB031910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.156 -1.949 -1.013 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.626 -2.691 0.060 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.256 -2.593 0.331 0.00 0.00 +0.068 A ATOM 4 C LIG 1 2.385 -1.814 -0.417 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.103 -1.987 0.197 0.00 0.00 +0.152 A ATOM 6 N LIG 1 1.186 -2.810 1.247 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 2.901 -1.095 -1.511 0.00 0.00 +0.014 A ATOM 8 N LIG 1 2.475 -3.172 1.290 0.00 0.00 -0.275 N ATOM 9 H LIG 1 2.766 -3.820 2.013 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 4.273 -1.181 -1.792 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.925 2.421 0.313 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.137 1.046 0.160 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.056 0.607 -0.786 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.512 -0.759 -1.220 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.632 -1.988 -1.340 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.557 -0.478 -2.276 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.639 0.897 -2.411 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.271 1.345 -3.056 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 9.193 -1.324 -2.882 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 7.674 -1.887 -0.243 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.764 1.553 -1.542 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.594 2.913 -1.406 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.657 3.341 -0.463 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.151 2.116 1.867 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.038 2.996 1.184 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 0.000 -1.358 -0.272 0.00 0.00 -0.293 N ATOM 27 H LIG 1 0.102 -0.752 -1.084 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -1.351 -1.375 0.140 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -2.296 -0.575 -0.536 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -3.613 -0.487 -0.235 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -4.036 -1.252 0.803 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -3.193 -2.090 1.528 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -1.839 -2.140 1.196 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -5.497 -1.255 1.147 0.00 0.00 +0.266 C ATOM 35 N LIG 1 -6.292 -0.100 0.978 0.00 0.00 -0.291 N ATOM 36 C LIG 1 -5.715 1.256 0.992 0.00 0.00 +0.074 C ATOM 37 C LIG 1 -5.873 1.966 -0.353 0.00 0.00 +0.028 C ATOM 38 C LIG 1 -6.284 2.056 2.168 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.807 2.141 2.189 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -8.497 1.087 1.332 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -7.737 -0.246 1.255 0.00 0.00 +0.074 C ATOM 42 C LIG 1 -8.416 -1.127 0.197 0.00 0.00 +0.028 C ATOM 43 O LIG 1 -5.965 -2.307 1.591 0.00 0.00 -0.268 OA ENDBRANCH 31 34 BRANCH 29 44 ATOM 44 O LIG 1 -1.785 0.167 -1.597 0.00 0.00 -0.478 OA ATOM 45 C LIG 1 -2.771 0.934 -2.276 0.00 0.00 +0.279 C ENDBRANCH 29 44 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6