REMARK Name = BDB014894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.812 -1.967 3.182 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -4.570 -1.249 2.092 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.824 -0.705 1.053 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.401 -1.040 0.846 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -1.754 -0.079 -0.086 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -0.403 0.047 -0.500 0.00 0.00 +0.150 A ATOM 7 N LIG 1 -0.276 1.053 -1.370 0.00 0.00 -0.155 NA ATOM 8 N LIG 1 -1.511 1.569 -1.521 0.00 0.00 -0.261 N ATOM 9 C LIG 1 -2.435 0.910 -0.767 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -3.895 1.154 -0.635 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.559 -0.126 -0.090 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -5.795 -1.154 2.157 0.00 0.00 -0.276 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -1.668 2.676 -2.436 0.00 0.00 +0.135 C ATOM 14 C LIG 1 -2.495 2.358 -3.674 0.00 0.00 +0.186 C ATOM 15 O LIG 1 -3.280 3.526 -3.979 0.00 0.00 -0.378 OA ATOM 16 C LIG 1 -2.840 4.589 -3.126 0.00 0.00 +0.162 C ATOM 17 C LIG 1 -2.321 3.923 -1.873 0.00 0.00 +0.057 C ENDBRANCH 8 13 BRANCH 6 18 ATOM 18 N LIG 1 0.578 -0.762 -0.026 0.00 0.00 -0.298 N ATOM 19 H LIG 1 0.322 -1.449 0.672 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 1.940 -0.887 -0.386 0.00 0.00 +0.034 A ATOM 21 C LIG 1 2.778 -1.663 0.429 0.00 0.00 +0.050 A ATOM 22 C LIG 1 4.140 -1.792 0.133 0.00 0.00 +0.090 A ATOM 23 C LIG 1 4.694 -1.172 -0.986 0.00 0.00 +0.027 A ATOM 24 C LIG 1 3.876 -0.389 -1.793 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.517 -0.243 -1.488 0.00 0.00 +0.023 A BRANCH 22 26 ATOM 26 S LIG 1 5.170 -2.785 1.180 0.00 0.00 -0.000 S ATOM 27 O LIG 1 6.250 -3.314 0.372 0.00 0.00 -0.169 OA ATOM 28 O LIG 1 4.309 -3.658 1.956 0.00 0.00 -0.169 OA BRANCH 26 29 ATOM 29 C LIG 1 5.921 -1.564 2.297 0.00 0.00 +0.136 C ATOM 30 C LIG 1 5.150 -1.280 3.558 0.00 0.00 +0.028 C ATOM 31 C LIG 1 6.385 -2.140 3.609 0.00 0.00 +0.028 C ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 18 20 ENDBRANCH 6 18 TORSDOF 5