REMARK Name = BDB031896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.657 -1.628 -1.894 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.237 -0.370 -2.369 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.943 0.066 -2.061 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.040 -0.687 -1.325 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.142 0.118 -1.244 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.028 1.280 -1.884 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 1.443 -1.955 -0.868 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.279 1.221 -2.359 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.629 2.013 -2.886 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.740 -2.404 -1.164 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.854 1.474 0.826 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.547 0.247 0.220 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.328 -0.210 -0.831 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.293 -1.446 -1.686 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.046 -2.137 -2.202 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.489 -1.294 -2.597 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.087 -0.086 -2.286 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.916 0.246 -2.753 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.839 -2.099 -3.444 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.896 -2.781 -1.125 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.421 0.564 -1.246 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.755 1.773 -0.673 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.952 2.230 0.378 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.244 3.071 2.484 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.009 1.823 1.845 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.248 -0.308 -0.589 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -1.218 -1.224 -0.149 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.510 0.288 -0.369 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -3.489 -0.409 0.369 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -4.730 0.047 0.651 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -5.028 1.282 0.163 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -4.148 2.059 -0.575 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -2.876 1.549 -0.840 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -6.402 1.797 0.473 0.00 0.00 +0.263 C ATOM 35 N LIG 1 -7.185 0.912 1.182 0.00 0.00 -0.310 N ATOM 36 H LIG 1 -6.713 0.079 1.514 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 -6.767 2.913 0.126 0.00 0.00 -0.269 OA BRANCH 35 38 ATOM 38 C LIG 1 -8.473 1.285 1.705 0.00 0.00 +0.108 C BRANCH 38 39 ATOM 39 C LIG 1 -9.263 0.126 2.231 0.00 0.00 +0.006 C ATOM 40 C LIG 1 -8.650 -0.961 3.082 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -9.128 -1.278 1.689 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 31 34 BRANCH 29 42 ATOM 42 O LIG 1 -3.111 -1.665 0.831 0.00 0.00 -0.478 OA ATOM 43 C LIG 1 -4.146 -2.336 1.542 0.00 0.00 +0.279 C ENDBRANCH 29 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8