REMARK Name = BDB061444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.494 1.646 -3.532 0.00 0.00 +0.086 C ATOM 2 C LIG 1 1.226 1.745 -2.764 0.00 0.00 +0.109 A ATOM 3 N LIG 1 0.627 0.680 -2.127 0.00 0.00 -0.309 N ATOM 4 C LIG 1 -0.509 1.141 -1.518 0.00 0.00 +0.161 A ATOM 5 C LIG 1 -0.551 2.492 -1.823 0.00 0.00 +0.108 A ATOM 6 C LIG 1 -1.621 3.236 -1.325 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -2.563 2.551 -0.549 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -2.414 1.178 -0.297 0.00 0.00 +0.074 A ATOM 9 N LIG 1 -1.385 0.430 -0.782 0.00 0.00 -0.227 NA ATOM 10 N LIG 1 0.521 2.851 -2.597 0.00 0.00 -0.231 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.384 0.429 0.524 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.757 -0.876 0.181 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -4.676 -1.555 0.965 0.00 0.00 +0.119 A ATOM 14 N LIG 1 -5.244 -1.018 2.056 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -4.878 0.226 2.400 0.00 0.00 +0.119 A ATOM 16 C LIG 1 -3.968 0.977 1.671 0.00 0.00 +0.053 A BRANCH 13 17 ATOM 17 N LIG 1 -5.083 -2.842 0.619 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -5.720 -3.158 1.347 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -4.294 -3.466 0.506 0.00 0.00 +0.144 HD ENDBRANCH 13 17 BRANCH 15 20 ATOM 20 N LIG 1 -5.487 0.763 3.532 0.00 0.00 -0.343 N ATOM 21 H LIG 1 -4.804 1.090 4.205 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -6.082 0.035 3.921 0.00 0.00 +0.144 HD ENDBRANCH 15 20 ENDBRANCH 8 11 BRANCH 3 23 ATOM 23 C LIG 1 1.065 -0.703 -2.095 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 C LIG 1 1.776 -1.056 -0.791 0.00 0.00 +0.250 C BRANCH 24 25 ATOM 25 O LIG 1 3.095 -0.506 -0.831 0.00 0.00 -0.490 OA BRANCH 25 26 ATOM 26 C LIG 1 3.884 -0.700 0.269 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.539 -1.423 1.412 0.00 0.00 +0.045 A ATOM 28 C LIG 1 4.450 -1.544 2.467 0.00 0.00 +0.004 A ATOM 29 C LIG 1 5.705 -0.945 2.384 0.00 0.00 +0.000 A ATOM 30 C LIG 1 6.054 -0.223 1.246 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.145 -0.102 0.194 0.00 0.00 +0.045 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7