REMARK Name = BDB043765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.168 -1.494 0.430 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -1.181 -1.054 -0.402 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -1.253 -1.453 -1.330 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.148 -1.253 1.632 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.918 -2.260 -0.303 0.00 0.00 +0.172 C BRANCH 5 9 ATOM 6 C LIG 1 4.920 -0.773 2.121 0.00 0.00 +0.086 A ATOM 7 C LIG 1 3.975 -1.688 1.548 0.00 0.00 +0.183 A ATOM 8 N LIG 1 2.888 -1.190 0.889 0.00 0.00 -0.282 N ATOM 9 C LIG 1 2.182 -2.296 0.474 0.00 0.00 +0.147 A ATOM 10 N LIG 1 2.844 -3.384 0.837 0.00 0.00 -0.133 NA ATOM 11 C LIG 1 2.724 0.177 0.754 0.00 0.00 +0.122 A ATOM 12 C LIG 1 3.655 0.993 1.293 0.00 0.00 +0.089 A ATOM 13 N LIG 1 3.976 -2.998 1.523 0.00 0.00 -0.128 NA ATOM 14 N LIG 1 4.761 0.521 1.995 0.00 0.00 -0.246 NA BRANCH 12 15 ATOM 15 C LIG 1 3.509 2.458 1.167 0.00 0.00 +0.020 A ATOM 16 C LIG 1 3.771 3.292 2.253 0.00 0.00 +0.120 A ATOM 17 N LIG 1 3.670 4.645 2.228 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 3.308 5.203 1.056 0.00 0.00 +0.111 A ATOM 19 C LIG 1 3.041 4.473 -0.090 0.00 0.00 +0.020 A ATOM 20 C LIG 1 3.145 3.084 -0.031 0.00 0.00 +0.013 A ENDBRANCH 12 15 BRANCH 6 21 ATOM 21 C LIG 1 6.122 -1.311 2.863 0.00 0.00 +0.059 C BRANCH 21 23 ATOM 22 C LIG 1 7.897 -0.597 1.192 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.233 -1.759 1.916 0.00 0.00 +0.003 C ENDBRANCH 21 23 ENDBRANCH 6 21 ENDBRANCH 5 9 ENDBRANCH 1 5 BRANCH 2 24 ATOM 24 C LIG 1 -2.342 -0.333 0.122 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 -3.399 -1.292 0.762 0.00 0.00 +0.138 C BRANCH 25 26 ATOM 26 C LIG 1 -3.734 -2.602 -0.007 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -4.680 -3.507 0.822 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -6.122 -3.475 0.330 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -6.239 -3.934 -1.122 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.001 -3.614 -1.959 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.268 -2.384 -1.436 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 O LIG 1 -4.590 -0.579 1.104 0.00 0.00 -0.390 OA ATOM 33 H LIG 1 -5.131 -0.461 0.307 0.00 0.00 +0.210 HD ENDBRANCH 25 32 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -2.897 0.640 -0.941 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 C LIG 1 -1.877 1.703 -1.416 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -2.481 2.566 -2.533 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.454 3.534 -3.126 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -0.380 3.973 -2.130 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -0.909 3.981 -0.704 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -1.375 2.592 -0.260 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 2 24 TORSDOF 11