REMARK Name = BDB060778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.150 -0.081 -0.026 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.679 -0.120 0.831 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 3.082 0.261 0.475 0.00 0.00 +0.030 A ATOM 4 C LIG 1 2.193 0.171 1.554 0.00 0.00 +0.025 A ATOM 5 C LIG 1 0.805 0.060 1.369 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.237 0.032 0.091 0.00 0.00 +0.034 A ATOM 7 C LIG 1 1.112 0.115 -0.989 0.00 0.00 +0.025 A ATOM 8 C LIG 1 2.501 0.224 -0.799 0.00 0.00 +0.025 A BRANCH 3 14 ATOM 9 C LIG 1 9.619 -0.146 0.779 0.00 0.00 +0.109 C ATOM 10 C LIG 1 8.668 0.846 1.402 0.00 0.00 +0.213 C ATOM 11 N LIG 1 7.333 0.734 1.058 0.00 0.00 -0.299 N ATOM 12 C LIG 1 6.356 1.632 1.678 0.00 0.00 +0.126 C ATOM 13 C LIG 1 4.988 0.963 1.903 0.00 0.00 +0.124 C ATOM 14 N LIG 1 4.452 0.361 0.666 0.00 0.00 -0.327 N ATOM 15 C LIG 1 5.401 0.122 -0.431 0.00 0.00 +0.124 C ATOM 16 C LIG 1 6.798 -0.244 0.106 0.00 0.00 +0.126 C ATOM 17 O LIG 1 9.087 1.709 2.172 0.00 0.00 -0.276 OA ENDBRANCH 3 14 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 C LIG 1 -2.031 -0.143 -1.102 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -3.325 -0.240 -0.762 0.00 0.00 -0.213 NA ATOM 20 C LIG 1 -4.237 -0.305 -1.759 0.00 0.00 +0.097 A ATOM 21 C LIG 1 -3.878 -0.275 -3.090 0.00 0.00 +0.050 A ATOM 22 C LIG 1 -2.536 -0.174 -3.340 0.00 0.00 +0.116 A ATOM 23 N LIG 1 -1.606 -0.108 -2.373 0.00 0.00 -0.223 NA BRANCH 20 24 ATOM 24 C LIG 1 -5.654 -0.412 -1.369 0.00 0.00 +0.119 A ATOM 25 C LIG 1 -6.214 -0.456 -0.049 0.00 0.00 +0.029 A ATOM 26 C LIG 1 -7.591 -0.558 -0.233 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -8.499 -0.628 0.834 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -7.979 -0.592 2.130 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -6.608 -0.491 2.349 0.00 0.00 +0.001 A ATOM 30 N LIG 1 -7.767 -0.568 -1.591 0.00 0.00 -0.266 N ATOM 31 C LIG 1 -9.028 -0.661 -2.287 0.00 0.00 +0.173 C ATOM 32 C LIG 1 -5.716 -0.422 1.272 0.00 0.00 +0.012 A ATOM 33 N LIG 1 -6.628 -0.482 -2.299 0.00 0.00 -0.169 NA ENDBRANCH 20 24 ENDBRANCH 1 18 TORSDOF 4