REMARK Name = BDB027590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.310 1.908 -2.243 0.00 0.00 +0.247 C ATOM 2 N LIG 1 2.443 1.144 -2.052 0.00 0.00 -0.296 N ATOM 3 C LIG 1 2.606 0.017 -1.138 0.00 0.00 +0.130 C ATOM 4 C LIG 1 4.126 -0.108 -0.908 0.00 0.00 +0.092 C ATOM 5 C LIG 1 4.689 0.459 -2.216 0.00 0.00 +0.043 C ATOM 6 C LIG 1 3.731 1.596 -2.544 0.00 0.00 +0.110 C ATOM 7 O LIG 1 1.303 2.974 -2.851 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 -4.341 0.708 0.971 0.00 0.00 +0.243 C ATOM 9 N LIG 1 -3.688 0.059 -0.083 0.00 0.00 -0.268 N ATOM 10 C LIG 1 -2.422 0.515 -0.604 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -1.705 -0.278 -1.530 0.00 0.00 -0.025 A ATOM 12 C LIG 1 -0.488 0.180 -2.069 0.00 0.00 +0.018 A ATOM 13 C LIG 1 0.036 1.412 -1.679 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.669 2.216 -0.790 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -2.225 -1.606 -2.012 0.00 0.00 +0.038 C ATOM 16 C LIG 1 -3.217 -2.191 -1.029 0.00 0.00 +0.024 C ATOM 17 C LIG 1 -1.883 1.767 -0.259 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.266 -1.144 -0.699 0.00 0.00 +0.114 C ATOM 19 O LIG 1 -3.825 1.447 1.806 0.00 0.00 -0.270 OA BRANCH 8 21 ATOM 20 C LIG 1 -6.668 0.768 0.160 0.00 0.00 -0.007 C ATOM 21 C LIG 1 -5.797 0.444 1.130 0.00 0.00 +0.065 C BRANCH 20 22 ATOM 22 C LIG 1 -8.167 0.645 0.134 0.00 0.00 +0.111 C BRANCH 22 24 ATOM 23 C LIG 1 -8.658 -1.327 1.512 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -8.908 0.082 1.255 0.00 0.00 -0.305 NA ATOM 25 C LIG 1 -8.909 0.901 2.457 0.00 0.00 +0.104 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 8 21 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 N LIG 1 4.553 0.712 0.224 0.00 0.00 -0.309 N ATOM 27 H LIG 1 3.870 0.869 0.957 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 5.706 0.292 0.869 0.00 0.00 +0.216 A ATOM 29 N LIG 1 6.686 -0.315 0.185 0.00 0.00 -0.215 NA ATOM 30 C LIG 1 7.785 -0.689 0.855 0.00 0.00 +0.076 A ATOM 31 C LIG 1 7.930 -0.478 2.227 0.00 0.00 +0.019 A ATOM 32 C LIG 1 9.095 -0.880 2.910 0.00 0.00 +0.011 A ATOM 33 C LIG 1 10.128 -1.501 2.212 0.00 0.00 +0.001 A ATOM 34 C LIG 1 9.995 -1.717 0.845 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.855 0.144 2.836 0.00 0.00 +0.124 A ATOM 36 C LIG 1 8.831 -1.311 0.182 0.00 0.00 +0.028 A ATOM 37 N LIG 1 5.741 0.528 2.184 0.00 0.00 -0.222 NA ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 6