REMARK Name = BDB015178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.580 -1.486 -0.098 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.869 -1.587 0.346 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.944 -0.792 -0.058 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.234 -0.989 0.474 0.00 0.00 -0.014 A ATOM 5 C LIG 1 4.416 -2.007 1.423 0.00 0.00 +0.009 A ATOM 6 C LIG 1 3.348 -2.805 1.829 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.080 -2.593 1.291 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 5.363 -0.147 0.045 0.00 0.00 -0.016 A ATOM 9 C LIG 1 6.096 0.595 0.993 0.00 0.00 +0.036 A ATOM 10 C LIG 1 7.160 1.383 0.534 0.00 0.00 +0.069 A ATOM 11 C LIG 1 7.518 1.458 -0.809 0.00 0.00 +0.089 A ATOM 12 N LIG 1 8.591 2.296 -0.989 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 8.890 2.734 0.213 0.00 0.00 +0.200 A ATOM 14 C LIG 1 6.792 0.721 -1.754 0.00 0.00 +0.030 A ATOM 15 N LIG 1 8.056 2.213 1.161 0.00 0.00 -0.333 N ATOM 16 C LIG 1 8.111 2.491 2.573 0.00 0.00 +0.150 C ATOM 17 C LIG 1 5.722 -0.073 -1.313 0.00 0.00 +0.011 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.299 -0.466 -1.057 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -1.187 -0.512 -1.423 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.466 0.486 -2.413 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -2.429 0.654 -2.326 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -2.091 -0.268 -0.193 0.00 0.00 +0.119 C BRANCH 22 28 ATOM 23 C LIG 1 -8.509 -0.928 -1.882 0.00 0.00 +0.044 C ATOM 24 C LIG 1 -7.787 -0.092 -0.861 0.00 0.00 -0.047 A ATOM 25 C LIG 1 -6.392 -0.197 -0.670 0.00 0.00 -0.039 A ATOM 26 C LIG 1 -5.552 -1.129 -1.513 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -4.146 -1.365 -0.942 0.00 0.00 +0.089 C ATOM 28 N LIG 1 -3.508 -0.085 -0.593 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -4.258 0.526 0.524 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -5.750 0.625 0.279 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.512 1.507 1.060 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.890 1.594 0.886 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.523 0.800 -0.068 0.00 0.00 +0.003 A ENDBRANCH 22 28 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7