REMARK Name = BDB014086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.576 0.360 -1.259 0.00 0.00 +0.172 C ATOM 2 N LIG 1 2.876 0.462 -0.001 0.00 0.00 -0.272 N ATOM 3 N LIG 1 2.740 1.663 0.584 0.00 0.00 -0.165 NA ATOM 4 C LIG 1 2.099 1.395 1.738 0.00 0.00 +0.168 A ATOM 5 C LIG 1 1.857 2.425 2.759 0.00 0.00 +0.266 C ATOM 6 N LIG 1 1.550 3.717 2.348 0.00 0.00 -0.308 N ATOM 7 H LIG 1 1.544 4.301 3.176 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 0.367 3.922 1.518 0.00 0.00 +0.128 C ATOM 9 C LIG 1 0.622 4.111 0.023 0.00 0.00 +0.162 C ATOM 10 N LIG 1 -0.450 3.473 -0.728 0.00 0.00 -0.269 N ATOM 11 N LIG 1 -1.622 4.107 -0.914 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -2.442 3.134 -1.328 0.00 0.00 +0.144 A ATOM 13 C LIG 1 -1.809 1.869 -1.401 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.314 0.537 -1.664 0.00 0.00 +0.095 A ATOM 15 N LIG 1 -1.459 -0.435 -1.688 0.00 0.00 -0.168 NA ATOM 16 N LIG 1 -1.950 -1.720 -1.818 0.00 0.00 -0.225 N ATOM 17 C LIG 1 -0.961 -2.793 -1.823 0.00 0.00 +0.182 C ATOM 18 C LIG 1 -0.463 -3.233 -0.457 0.00 0.00 -0.025 A ATOM 19 C LIG 1 -0.285 -2.341 0.616 0.00 0.00 +0.018 A ATOM 20 C LIG 1 0.312 -2.767 1.812 0.00 0.00 +0.037 A ATOM 21 C LIG 1 0.502 -1.857 2.967 0.00 0.00 +0.248 C ATOM 22 N LIG 1 1.029 -0.592 2.841 0.00 0.00 -0.278 N ATOM 23 H LIG 1 0.943 -0.044 3.695 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 0.129 -2.247 4.074 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 0.673 -4.108 1.971 0.00 0.00 +0.013 A ATOM 26 C LIG 1 0.488 -5.007 0.923 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -0.062 -4.569 -0.284 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -3.300 -2.019 -1.944 0.00 0.00 +0.268 A ATOM 29 O LIG 1 -3.769 -3.147 -2.064 0.00 0.00 -0.266 OA ATOM 30 C LIG 1 -4.220 -0.859 -1.949 0.00 0.00 +0.074 A ATOM 31 C LIG 1 -3.768 0.391 -1.821 0.00 0.00 +0.035 A ATOM 32 C LIG 1 -0.496 2.159 -1.081 0.00 0.00 +0.118 A ATOM 33 O LIG 1 1.898 2.178 3.964 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 1.742 0.009 1.818 0.00 0.00 +0.084 A ATOM 35 C LIG 1 2.295 -0.555 0.694 0.00 0.00 +0.132 A ENDROOT TORSDOF 0