REMARK Name = BDB010511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.339 -1.212 -1.318 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -0.953 -1.043 -1.324 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.229 -1.346 -2.463 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.101 -1.143 -2.282 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.249 -0.687 -1.046 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.764 -1.788 -3.611 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.091 -1.885 -3.542 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.000 -0.569 -0.440 0.00 0.00 -0.318 N ATOM 9 N LIG 1 -2.899 -1.619 -2.480 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.563 -0.342 -0.469 0.00 0.00 +0.107 A ATOM 11 N LIG 1 2.609 -0.059 0.850 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 3.814 0.251 1.369 0.00 0.00 +0.112 A ATOM 13 C LIG 1 4.988 0.291 0.633 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.956 -0.005 -0.737 0.00 0.00 -0.038 A ATOM 15 C LIG 1 3.704 -0.329 -1.279 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.244 0.030 -1.574 0.00 0.00 -0.013 C ATOM 17 C LIG 1 7.259 -0.985 -1.005 0.00 0.00 +0.015 C ATOM 18 C LIG 1 6.858 1.445 -1.521 0.00 0.00 +0.015 C ATOM 19 C LIG 1 6.030 -0.322 -3.063 0.00 0.00 +0.015 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -3.153 -0.978 -0.201 0.00 0.00 -0.313 N ATOM 21 C LIG 1 -4.413 -0.328 -0.564 0.00 0.00 +0.131 C BRANCH 20 23 ATOM 22 C LIG 1 -4.047 -3.315 0.125 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -3.226 -2.160 0.706 0.00 0.00 +0.075 C BRANCH 23 24 ATOM 24 C LIG 1 -3.704 -1.738 2.116 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -3.561 -2.786 3.252 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.085 -2.981 3.231 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.210 -1.643 2.487 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -2.829 -2.359 -4.766 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -2.340 -2.650 -5.844 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.168 -2.429 -4.513 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -4.333 -2.154 -3.581 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -0.270 0.013 0.864 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 -0.185 1.551 0.903 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -0.159 2.035 2.367 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -0.824 3.395 2.587 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -0.651 4.359 1.411 0.00 0.00 -0.014 C ATOM 37 C LIG 1 0.801 4.829 1.281 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.168 3.747 0.097 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.324 2.223 0.128 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9