REMARK Name = BDB000270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.452 0.727 2.362 0.00 0.00 -0.322 N ATOM 2 C LIG 1 2.688 -0.040 2.003 0.00 0.00 +0.113 C ATOM 3 C LIG 1 3.340 -0.665 3.269 0.00 0.00 +0.105 C ATOM 4 N LIG 1 3.616 0.256 4.387 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 4.496 0.744 4.224 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 2.544 1.262 4.528 0.00 0.00 +0.100 C ATOM 7 C LIG 1 1.221 0.916 3.812 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -2.151 -0.361 0.427 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -1.715 0.961 0.448 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -0.514 1.296 1.088 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.274 0.322 1.710 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -0.175 -1.003 1.691 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.373 -1.339 1.052 0.00 0.00 +0.047 A BRANCH 8 14 ATOM 14 O LIG 1 -3.297 -0.832 -0.147 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.205 0.091 -0.748 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -5.120 0.746 0.288 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -6.008 -0.274 1.000 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -6.931 -0.869 0.090 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 -8.167 -0.150 0.005 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 -10.445 -0.632 -1.010 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -9.041 -0.721 -1.090 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -8.461 -1.293 -2.235 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -9.255 -1.792 -3.268 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -10.641 -1.712 -3.176 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -11.235 -1.129 -2.055 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 -12.326 -0.248 0.399 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -10.950 -0.019 0.110 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 C LIG 1 3.683 0.910 1.294 0.00 0.00 +0.183 C BRANCH 28 29 ATOM 29 O LIG 1 3.332 1.034 -0.093 0.00 0.00 -0.373 OA BRANCH 29 30 ATOM 30 C LIG 1 4.170 1.951 -0.797 0.00 0.00 +0.195 C BRANCH 30 31 ATOM 31 C LIG 1 5.531 1.364 -1.084 0.00 0.00 -0.022 A ATOM 32 C LIG 1 5.650 0.080 -1.631 0.00 0.00 +0.006 A ATOM 33 C LIG 1 6.910 -0.467 -1.897 0.00 0.00 +0.009 A ATOM 34 C LIG 1 8.084 0.255 -1.630 0.00 0.00 -0.018 A ATOM 35 C LIG 1 7.953 1.547 -1.095 0.00 0.00 +0.009 A ATOM 36 C LIG 1 6.694 2.098 -0.828 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 9.410 -0.328 -1.897 0.00 0.00 -0.018 A ATOM 38 C LIG 1 9.733 -0.843 -3.164 0.00 0.00 +0.008 A ATOM 39 C LIG 1 10.989 -1.399 -3.416 0.00 0.00 +0.001 A ATOM 40 C LIG 1 11.944 -1.452 -2.403 0.00 0.00 +0.000 A ATOM 41 C LIG 1 11.645 -0.948 -1.140 0.00 0.00 +0.001 A ATOM 42 C LIG 1 10.389 -0.390 -0.890 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 14