REMARK Name = BDB031881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.485 -0.400 1.782 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.768 -0.966 1.384 0.00 0.00 +0.041 A ATOM 3 C LIG 1 1.545 -0.976 2.534 0.00 0.00 +0.068 A ATOM 4 C LIG 1 2.860 -1.455 2.569 0.00 0.00 +0.031 A ATOM 5 C LIG 1 3.434 -1.940 1.379 0.00 0.00 -0.041 A ATOM 6 C LIG 1 2.645 -1.951 0.215 0.00 0.00 +0.005 A ATOM 7 N LIG 1 0.744 -0.445 3.504 0.00 0.00 -0.275 N ATOM 8 H LIG 1 0.975 -0.297 4.480 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 1.328 -1.467 0.195 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -0.478 -0.092 3.083 0.00 0.00 -0.158 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 4.847 -2.476 1.352 0.00 0.00 +0.040 C ATOM 12 C LIG 1 5.945 -1.819 0.541 0.00 0.00 +0.081 C ATOM 13 C LIG 1 5.799 -0.591 -0.313 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.597 -0.766 -1.453 0.00 0.00 +0.038 A ATOM 15 C LIG 1 6.704 0.174 -2.455 0.00 0.00 +0.027 A ATOM 16 C LIG 1 5.975 1.358 -2.307 0.00 0.00 +0.047 A ATOM 17 C LIG 1 5.172 1.572 -1.172 0.00 0.00 +0.120 A ATOM 18 N LIG 1 7.245 -2.001 -1.384 0.00 0.00 -0.284 N ATOM 19 H LIG 1 7.890 -2.365 -2.068 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 5.090 0.592 -0.171 0.00 0.00 +0.052 A ATOM 21 C LIG 1 6.923 -2.682 -0.224 0.00 0.00 +0.228 C ATOM 22 O LIG 1 7.335 -3.772 0.137 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 5.977 -1.736 2.040 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 4.425 2.692 -0.924 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 4.439 3.713 -1.913 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 -1.501 -0.236 0.902 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -1.354 -0.536 -0.059 0.00 0.00 +0.154 HD BRANCH 26 29 ATOM 28 C LIG 1 -3.670 0.314 -0.070 0.00 0.00 +0.237 A ATOM 29 C LIG 1 -2.801 0.301 1.040 0.00 0.00 +0.095 A ATOM 30 C LIG 1 -3.308 0.834 2.223 0.00 0.00 +0.031 A ATOM 31 C LIG 1 -4.606 1.345 2.263 0.00 0.00 +0.035 A ATOM 32 C LIG 1 -5.383 1.291 1.112 0.00 0.00 +0.129 A ATOM 33 N LIG 1 -4.938 0.783 -0.065 0.00 0.00 -0.207 NA BRANCH 32 34 ATOM 34 C LIG 1 -6.757 1.896 1.149 0.00 0.00 +0.265 C ATOM 35 N LIG 1 -7.775 1.395 0.330 0.00 0.00 -0.302 N ATOM 36 C LIG 1 -9.012 2.145 0.207 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -7.697 0.150 -0.414 0.00 0.00 +0.132 C ATOM 38 O LIG 1 -6.945 2.841 1.919 0.00 0.00 -0.268 OA ENDBRANCH 32 34 BRANCH 28 39 ATOM 39 O LIG 1 -3.137 -0.206 -1.244 0.00 0.00 -0.475 OA BRANCH 39 41 ATOM 40 C LIG 1 -4.808 -1.444 -2.481 0.00 0.00 +0.048 C ATOM 41 C LIG 1 -4.002 -0.161 -2.380 0.00 0.00 +0.227 C ENDBRANCH 39 41 ENDBRANCH 28 39 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 7