REMARK Name = BDB031880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.586 0.951 2.290 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.037 -0.342 2.180 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.694 -0.472 1.809 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.136 0.612 1.559 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.402 0.040 1.211 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.355 -1.294 1.274 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.398 1.907 1.691 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.091 -1.571 1.610 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.175 -2.545 1.697 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.746 2.053 2.058 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.346 -0.767 -1.685 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.197 0.076 -0.573 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.051 -0.067 0.511 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.178 0.645 1.828 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.032 1.136 2.689 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.372 -0.011 2.484 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.819 -0.997 1.622 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.615 -1.580 1.828 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.833 0.288 3.572 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.923 2.119 1.956 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.057 -1.042 0.453 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.235 -1.885 -0.623 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.361 -1.741 -1.705 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.502 -1.391 -3.822 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.443 -0.536 -2.688 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.483 0.808 0.924 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -2.337 1.807 0.885 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.615 0.458 0.156 0.00 0.00 +0.133 A ATOM 29 C LIG 1 -4.751 1.214 0.267 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -5.057 2.421 1.083 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -6.592 2.450 1.008 0.00 0.00 +0.011 C ATOM 32 C LIG 1 -6.975 1.795 -0.325 0.00 0.00 +0.056 C ATOM 33 C LIG 1 -5.822 0.853 -0.516 0.00 0.00 +0.051 A ATOM 34 N LIG 1 -5.829 -0.176 -1.363 0.00 0.00 -0.219 NA ATOM 35 C LIG 1 -4.699 -0.906 -1.405 0.00 0.00 +0.219 A ATOM 36 N LIG 1 -3.604 -0.601 -0.674 0.00 0.00 -0.199 NA BRANCH 35 37 ATOM 37 N LIG 1 -4.660 -2.030 -2.236 0.00 0.00 -0.306 N ATOM 38 C LIG 1 -3.321 -2.533 -2.494 0.00 0.00 +0.132 C ATOM 39 C LIG 1 -5.578 -1.976 -3.360 0.00 0.00 +0.132 C ENDBRANCH 35 37 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5