REMARK Name = BDB015217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.149 2.398 -0.788 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.457 1.956 0.347 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.175 2.879 1.171 0.00 0.00 +0.119 A ATOM 4 N LIG 1 -0.163 4.201 0.925 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 0.515 4.619 -0.166 0.00 0.00 +0.113 A ATOM 6 C LIG 1 1.173 3.771 -1.040 0.00 0.00 +0.028 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 4.385 -1.309 -1.891 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.425 -0.335 -2.044 0.00 0.00 +0.069 A ATOM 9 C LIG 1 3.127 -0.366 -3.405 0.00 0.00 +0.089 A ATOM 10 C LIG 1 2.167 0.515 -3.921 0.00 0.00 +0.030 A ATOM 11 C LIG 1 1.531 1.411 -3.051 0.00 0.00 +0.011 A ATOM 12 C LIG 1 1.832 1.446 -1.679 0.00 0.00 -0.016 A ATOM 13 N LIG 1 3.870 -1.315 -4.056 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 2.797 0.558 -1.163 0.00 0.00 +0.036 A ATOM 15 C LIG 1 4.612 -1.864 -3.124 0.00 0.00 +0.200 A BRANCH 7 20 ATOM 16 C LIG 1 6.525 -2.296 3.242 0.00 0.00 +0.104 C ATOM 17 N LIG 1 6.124 -2.140 1.845 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 6.042 -0.732 1.463 0.00 0.00 +0.086 C ATOM 19 C LIG 1 5.939 -0.620 -0.061 0.00 0.00 +0.040 C ATOM 20 C LIG 1 5.061 -1.727 -0.670 0.00 0.00 +0.091 C ATOM 21 C LIG 1 4.103 -2.329 0.363 0.00 0.00 +0.040 C ATOM 22 C LIG 1 4.873 -2.866 1.575 0.00 0.00 +0.086 C ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 3 23 ATOM 23 N LIG 1 -0.905 2.491 2.295 0.00 0.00 -0.327 N ATOM 24 H LIG 1 -1.142 3.369 2.756 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.130 1.726 1.979 0.00 0.00 +0.135 C BRANCH 25 26 ATOM 26 C LIG 1 -3.322 2.654 1.645 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 -3.117 3.394 0.434 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -2.272 3.876 0.538 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -4.663 1.883 1.576 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -4.657 0.605 0.830 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.944 -0.092 1.046 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -6.114 -1.345 0.213 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -5.360 -1.539 -0.957 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -5.559 -2.689 -1.732 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.522 -3.628 -1.364 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.289 -3.428 -0.219 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.300 -0.540 -1.340 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -7.088 -2.291 0.565 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.455 0.806 -0.617 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 8