REMARK Name = BDB015173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.513 -0.806 2.134 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.562 -0.056 1.598 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -2.734 0.186 2.340 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -2.827 -0.345 3.636 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.785 -1.101 4.173 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.635 -1.331 3.421 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.837 0.977 1.770 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.472 0.555 0.584 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -5.518 1.342 0.083 0.00 0.00 +0.070 A ATOM 10 C LIG 1 -5.947 2.511 0.705 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -6.984 3.089 0.014 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -7.199 2.296 -1.013 0.00 0.00 +0.200 A ATOM 13 C LIG 1 -5.317 2.932 1.882 0.00 0.00 +0.030 A ATOM 14 N LIG 1 -6.344 1.233 -1.010 0.00 0.00 -0.325 N ATOM 15 C LIG 1 -4.269 2.157 2.401 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 -6.268 0.124 -1.986 0.00 0.00 +0.116 C ATOM 17 C LIG 1 -7.223 0.181 -3.188 0.00 0.00 +0.107 C ATOM 18 N LIG 1 -8.186 -0.662 -2.452 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 -8.929 -0.142 -1.985 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -7.104 -1.091 -1.540 0.00 0.00 +0.107 C ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 O LIG 1 0.666 -1.103 1.507 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 0.911 -0.469 0.246 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 2.315 -0.868 -0.240 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 2.326 -2.287 -0.458 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 2.032 -2.693 0.379 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 3.404 -0.465 0.789 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 4.817 -0.524 0.374 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 5.161 0.500 -0.624 0.00 0.00 +0.120 C ATOM 29 C LIG 1 6.606 0.437 -1.076 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.363 -0.737 -0.910 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.688 -0.782 -1.363 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.252 0.322 -2.001 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.500 1.480 -2.184 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.767 -1.920 -0.188 0.00 0.00 +0.051 C ATOM 35 C LIG 1 7.183 1.538 -1.727 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.236 -1.849 -0.100 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 8