REMARK Name = BDB001547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.114 -0.730 -0.586 0.00 0.00 -0.340 N ATOM 2 H LIG 1 -0.027 -1.194 -1.503 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 6 ATOM 3 O LIG 1 1.461 -1.794 -2.486 0.00 0.00 -0.287 OA ATOM 4 C LIG 1 2.433 -1.441 -1.821 0.00 0.00 +0.188 C ATOM 5 C LIG 1 2.345 -0.595 -0.576 0.00 0.00 +0.043 C ATOM 6 C LIG 1 1.113 -0.322 -0.097 0.00 0.00 +0.080 C ATOM 7 C LIG 1 3.603 -0.117 0.066 0.00 0.00 -0.006 A ATOM 8 C LIG 1 4.836 -0.556 -0.460 0.00 0.00 -0.017 A ATOM 9 C LIG 1 6.045 -0.136 0.118 0.00 0.00 +0.008 A ATOM 10 C LIG 1 6.045 0.724 1.213 0.00 0.00 +0.001 A ATOM 11 C LIG 1 4.838 1.172 1.736 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.889 -1.452 -1.619 0.00 0.00 +0.012 C ATOM 13 C LIG 1 3.630 0.757 1.168 0.00 0.00 +0.009 A ATOM 14 C LIG 1 3.785 -1.857 -2.252 0.00 0.00 +0.052 C ENDBRANCH 1 6 BRANCH 1 15 ATOM 15 C LIG 1 -1.437 -0.143 -0.310 0.00 0.00 +0.070 C ATOM 16 C LIG 1 -2.501 -0.842 -1.204 0.00 0.00 +0.113 C ATOM 17 N LIG 1 -3.844 -0.245 -1.182 0.00 0.00 -0.286 NA ATOM 18 C LIG 1 -3.817 1.212 -1.275 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -2.840 1.856 -0.409 0.00 0.00 -0.275 NA ATOM 20 C LIG 1 -3.159 1.773 1.010 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -3.050 0.434 1.584 0.00 0.00 -0.286 NA ATOM 22 C LIG 1 -4.250 -0.373 1.371 0.00 0.00 +0.101 C ATOM 23 C LIG 1 -4.664 -0.728 -0.072 0.00 0.00 +0.101 C ATOM 24 C LIG 1 -1.490 1.347 -0.674 0.00 0.00 +0.115 C ATOM 25 C LIG 1 -1.814 -0.261 1.189 0.00 0.00 +0.113 C ENDBRANCH 1 15 TORSDOF 2