REMARK Name = BDB000128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.831 1.619 -1.024 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -2.803 0.752 -0.501 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -2.403 -0.330 0.290 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.067 -0.584 0.573 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -0.090 0.280 0.065 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.240 -0.041 0.411 0.00 0.00 +0.134 A ATOM 7 N LIG 1 1.545 -1.123 1.147 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 0.523 -1.871 1.570 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.771 -1.647 1.325 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.485 1.378 -0.743 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.339 3.485 -2.438 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.293 2.659 -1.787 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 2.291 0.811 -0.024 0.00 0.00 -0.297 N ATOM 14 H LIG 1 2.077 1.764 0.257 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.672 0.558 0.002 0.00 0.00 +0.069 A ATOM 16 C LIG 1 4.597 1.584 -0.076 0.00 0.00 +0.139 A ATOM 17 N LIG 1 5.935 1.419 -0.130 0.00 0.00 -0.221 NA ATOM 18 C LIG 1 6.386 0.164 -0.129 0.00 0.00 +0.222 A ATOM 19 N LIG 1 5.595 -0.919 -0.103 0.00 0.00 -0.221 NA ATOM 20 C LIG 1 4.259 -0.692 -0.049 0.00 0.00 +0.139 A BRANCH 18 21 ATOM 21 N LIG 1 7.739 -0.133 -0.180 0.00 0.00 -0.250 N ATOM 22 H LIG 1 7.914 -1.123 -0.160 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 8.769 0.772 -0.162 0.00 0.00 +0.250 C ATOM 24 O LIG 1 8.684 1.989 -0.045 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 10.130 0.168 -0.257 0.00 0.00 +0.037 A ATOM 26 C LIG 1 10.379 -0.984 -1.016 0.00 0.00 +0.013 A ATOM 27 C LIG 1 11.670 -1.514 -1.075 0.00 0.00 +0.001 A ATOM 28 C LIG 1 12.714 -0.895 -0.387 0.00 0.00 +0.000 A ATOM 29 C LIG 1 12.474 0.261 0.355 0.00 0.00 +0.001 A ATOM 30 C LIG 1 11.186 0.795 0.417 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 31 ATOM 31 O LIG 1 -4.106 1.058 -0.798 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.122 0.075 -0.584 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -5.781 0.292 0.776 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -6.804 -0.795 1.122 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 -7.869 -0.945 0.124 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -8.573 -2.235 0.302 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -9.955 -2.226 -0.367 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -10.849 -1.274 0.225 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -10.171 -0.153 0.808 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -8.836 0.176 0.118 0.00 0.00 +0.112 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10