REMARK Name = BDB064183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.700 0.306 1.262 0.00 0.00 +0.147 A ATOM 2 N LIG 1 0.451 -0.111 0.009 0.00 0.00 -0.132 NA ATOM 3 N LIG 1 -0.852 -0.260 -0.454 0.00 0.00 -0.132 NA ATOM 4 C LIG 1 -1.916 0.014 0.326 0.00 0.00 +0.144 A ATOM 5 C LIG 1 -1.680 0.421 1.633 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -0.371 0.567 2.102 0.00 0.00 +0.049 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.227 -0.149 -0.151 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -3.307 -0.690 -1.520 0.00 0.00 +0.121 C ATOM 9 C LIG 1 -4.765 -1.093 -1.860 0.00 0.00 +0.100 C ATOM 10 N LIG 1 -5.836 -0.284 -1.232 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 -6.064 -0.746 -0.348 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -5.306 1.047 -0.892 0.00 0.00 +0.100 C ATOM 13 C LIG 1 -4.127 0.994 0.111 0.00 0.00 +0.121 C ENDBRANCH 4 7 BRANCH 1 14 ATOM 14 N LIG 1 2.002 0.436 1.774 0.00 0.00 -0.283 N ATOM 15 H LIG 1 2.133 1.286 2.310 0.00 0.00 +0.155 HD BRANCH 14 20 ATOM 16 C LIG 1 7.067 -0.452 -0.575 0.00 0.00 +0.045 C ATOM 17 C LIG 1 5.713 -0.281 0.033 0.00 0.00 -0.032 A ATOM 18 C LIG 1 5.450 0.744 0.931 0.00 0.00 +0.116 A ATOM 19 N LIG 1 4.240 0.974 1.494 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 3.216 0.167 1.139 0.00 0.00 +0.124 A ATOM 21 C LIG 1 3.392 -0.886 0.250 0.00 0.00 +0.044 A ATOM 22 C LIG 1 4.648 -1.105 -0.316 0.00 0.00 +0.008 A ENDBRANCH 14 20 ENDBRANCH 1 14 TORSDOF 3