REMARK Name = BDB007988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.697 0.285 1.747 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.671 -0.753 1.570 0.00 0.00 +0.085 C ATOM 3 C LIG 1 -0.396 -0.309 0.571 0.00 0.00 +0.027 C ATOM 4 C LIG 1 -1.126 0.960 1.035 0.00 0.00 +0.063 C ATOM 5 C LIG 1 -0.378 1.654 2.184 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.131 1.633 1.949 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.559 0.622 1.445 0.00 0.00 +0.166 C ATOM 8 O LIG 1 -2.860 0.403 2.618 0.00 0.00 -0.292 OA BRANCH 7 9 ATOM 9 C LIG 1 -3.627 0.528 0.399 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -4.956 0.387 0.822 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -6.000 0.283 -0.107 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.727 0.314 -1.472 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -4.402 0.453 -1.895 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.356 0.560 -0.971 0.00 0.00 +0.015 A BRANCH 12 15 ATOM 15 O LIG 1 -6.633 0.212 -2.487 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 -8.024 0.077 -2.176 0.00 0.00 +0.178 C ATOM 17 C LIG 1 -8.813 0.564 -3.399 0.00 0.00 +0.072 C ATOM 18 C LIG 1 -10.185 -0.092 -3.493 0.00 0.00 +0.163 C ATOM 19 O LIG 1 -10.645 -0.459 -2.197 0.00 0.00 -0.380 OA ATOM 20 C LIG 1 -9.875 -1.519 -1.625 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -8.381 -1.379 -1.895 0.00 0.00 +0.072 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 2.611 -0.100 2.855 0.00 0.00 +0.180 C BRANCH 22 24 ATOM 23 O LIG 1 4.765 0.663 3.690 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 3.960 0.626 2.761 0.00 0.00 +0.227 C ATOM 25 N LIG 1 4.248 1.157 1.527 0.00 0.00 -0.307 N ATOM 26 H LIG 1 3.588 0.947 0.782 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 5.492 1.837 1.237 0.00 0.00 +0.178 C BRANCH 27 28 ATOM 28 C LIG 1 6.569 0.812 0.918 0.00 0.00 +0.127 A ATOM 29 N LIG 1 6.997 0.053 1.975 0.00 0.00 -0.309 N ATOM 30 H LIG 1 6.562 0.165 2.888 0.00 0.00 +0.170 HD ATOM 31 C LIG 1 7.940 -0.921 1.843 0.00 0.00 +0.257 A ATOM 32 O LIG 1 8.323 -1.611 2.779 0.00 0.00 -0.267 OA ATOM 33 C LIG 1 8.475 -1.082 0.479 0.00 0.00 +0.064 A ATOM 34 C LIG 1 9.505 -2.139 0.245 0.00 0.00 +0.202 C ATOM 35 O LIG 1 9.701 -2.402 -1.155 0.00 0.00 -0.375 OA ATOM 36 C LIG 1 9.837 -1.196 -1.908 0.00 0.00 +0.166 C ATOM 37 C LIG 1 8.525 -0.412 -1.886 0.00 0.00 +0.084 C ATOM 38 C LIG 1 7.992 -0.280 -0.483 0.00 0.00 +0.056 A ATOM 39 N LIG 1 7.030 0.682 -0.286 0.00 0.00 -0.237 NA ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 8