REMARK Name = BDB032264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.797 -0.255 -0.225 0.00 0.00 +0.119 A ATOM 2 N LIG 1 -0.059 -1.378 -0.176 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 1.261 -1.251 0.100 0.00 0.00 +0.118 A ATOM 4 C LIG 1 1.897 -0.040 0.342 0.00 0.00 -0.012 A ATOM 5 C LIG 1 1.116 1.112 0.268 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.244 1.003 -0.020 0.00 0.00 +0.044 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -2.146 -0.434 -0.533 0.00 0.00 -0.329 N ATOM 8 H LIG 1 -2.233 -1.446 -0.638 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 -3.066 0.074 0.482 0.00 0.00 +0.106 C BRANCH 9 14 ATOM 10 C LIG 1 -8.648 -0.373 -0.738 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -7.210 -0.450 -0.496 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 -6.476 0.554 -1.263 0.00 0.00 +0.084 C ATOM 13 C LIG 1 -4.969 0.271 -1.209 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -4.507 -0.330 0.134 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -5.476 0.080 1.248 0.00 0.00 +0.020 C ATOM 16 C LIG 1 -6.911 -0.372 0.940 0.00 0.00 +0.084 C ENDBRANCH 9 14 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 17 ATOM 17 C LIG 1 3.371 0.014 0.629 0.00 0.00 +0.138 C BRANCH 17 18 ATOM 18 N LIG 1 4.110 -0.155 -0.615 0.00 0.00 -0.338 N ATOM 19 H LIG 1 3.658 0.300 -1.407 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 5.498 -0.017 -0.629 0.00 0.00 +0.048 A ATOM 21 C LIG 1 6.309 -0.143 0.496 0.00 0.00 +0.056 A ATOM 22 C LIG 1 7.695 -0.067 0.410 0.00 0.00 +0.110 A ATOM 23 C LIG 1 8.269 0.116 -0.873 0.00 0.00 +0.179 A ATOM 24 N LIG 1 9.599 0.200 -0.998 0.00 0.00 -0.233 NA ATOM 25 C LIG 1 10.339 0.098 0.127 0.00 0.00 +0.133 A ATOM 26 C LIG 1 9.772 -0.083 1.370 0.00 0.00 +0.131 A ATOM 27 N LIG 1 7.522 0.202 -1.974 0.00 0.00 -0.233 NA ATOM 28 N LIG 1 8.438 -0.168 1.536 0.00 0.00 -0.250 NA ATOM 29 C LIG 1 6.178 0.117 -1.837 0.00 0.00 +0.136 A ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 4 17 TORSDOF 6