REMARK Name = BDB029341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.119 2.794 1.038 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.798 1.583 1.004 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -0.242 0.748 0.857 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.607 3.893 1.277 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.158 1.739 -0.516 0.00 0.00 -0.029 A ATOM 6 C LIG 1 4.022 2.499 0.278 0.00 0.00 +0.028 A ATOM 7 C LIG 1 3.514 3.336 1.277 0.00 0.00 +0.046 A ATOM 8 N LIG 1 2.182 3.416 1.510 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 1.347 2.682 0.734 0.00 0.00 +0.126 A ATOM 10 C LIG 1 1.786 1.855 -0.290 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 4.446 4.154 2.140 0.00 0.00 +0.038 C ATOM 12 C LIG 1 5.260 5.272 1.529 0.00 0.00 +0.010 C ATOM 13 C LIG 1 4.117 5.598 2.442 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 3.680 0.831 -1.605 0.00 0.00 +0.119 C BRANCH 14 20 ATOM 15 C LIG 1 5.340 -3.103 0.319 0.00 0.00 +0.039 C ATOM 16 C LIG 1 4.783 -2.312 -0.858 0.00 0.00 +0.129 C ATOM 17 O LIG 1 4.293 -3.260 -1.821 0.00 0.00 -0.374 OA ATOM 18 C LIG 1 3.193 -2.765 -2.598 0.00 0.00 +0.175 C ATOM 19 C LIG 1 3.253 -1.243 -2.790 0.00 0.00 +0.113 C ATOM 20 N LIG 1 3.119 -0.522 -1.506 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 3.697 -1.315 -0.398 0.00 0.00 +0.116 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -2.180 1.365 1.166 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -2.631 0.044 1.029 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -3.995 -0.315 1.103 0.00 0.00 -0.039 A ATOM 25 C LIG 1 -4.898 0.733 1.359 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -4.465 2.051 1.523 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -3.110 2.367 1.420 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 -4.478 -1.837 0.847 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -3.627 -2.969 1.526 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -4.913 -3.638 2.047 0.00 0.00 +0.093 C ATOM 31 C LIG 1 -5.669 -2.329 1.743 0.00 0.00 +0.030 C BRANCH 30 32 ATOM 32 C LIG 1 -5.372 -4.804 1.320 0.00 0.00 +0.066 C ATOM 33 N LIG 1 -5.763 -5.725 0.734 0.00 0.00 -0.196 NA ENDBRANCH 30 32 BRANCH 28 34 ATOM 34 C LIG 1 -4.751 -2.045 -0.666 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 C LIG 1 -3.550 -1.777 -1.512 0.00 0.00 +0.134 A ATOM 36 N LIG 1 -3.417 -0.737 -2.397 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -4.385 0.274 -2.723 0.00 0.00 +0.151 C ATOM 38 C LIG 1 -2.156 -0.827 -2.902 0.00 0.00 +0.224 A ATOM 39 N LIG 1 -1.543 -1.857 -2.370 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 -2.422 -2.461 -1.504 0.00 0.00 -0.135 NA ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 24 28 ENDBRANCH 2 22 TORSDOF 9