REMARK Name = BDB004959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.289 2.106 0.147 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.024 1.568 -0.151 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.053 1.741 0.722 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.142 2.464 1.905 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.392 3.003 2.214 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.459 2.827 1.338 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.351 1.245 0.478 0.00 0.00 -0.281 N ATOM 8 H LIG 1 2.040 1.454 1.189 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.762 0.442 -0.570 0.00 0.00 +0.248 C ATOM 10 O LIG 1 1.053 -0.064 -1.432 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 3.223 0.155 -0.594 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.167 1.135 -0.259 0.00 0.00 +0.013 A ATOM 13 C LIG 1 5.531 0.833 -0.293 0.00 0.00 +0.005 A ATOM 14 C LIG 1 5.968 -0.446 -0.668 0.00 0.00 -0.033 A ATOM 15 C LIG 1 5.015 -1.414 -1.020 0.00 0.00 +0.005 A ATOM 16 C LIG 1 3.651 -1.115 -0.989 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 C LIG 1 7.447 -0.772 -0.723 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 7.814 -1.895 0.142 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 7.706 -1.591 1.570 0.00 0.00 +0.085 C ATOM 20 C LIG 1 8.535 -2.684 2.234 0.00 0.00 +0.017 C ATOM 21 C LIG 1 9.447 -3.221 1.137 0.00 0.00 +0.017 C ATOM 22 C LIG 1 9.206 -2.305 -0.052 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 -3.447 1.927 -0.810 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -4.519 1.212 -0.126 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -4.185 0.316 0.219 0.00 0.00 +0.148 HD BRANCH 24 29 ATOM 26 C LIG 1 -9.053 -0.448 -0.534 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -7.934 0.191 -1.109 0.00 0.00 +0.088 A ATOM 28 C LIG 1 -6.794 0.360 -0.298 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -5.688 1.007 -0.888 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -5.717 1.467 -2.148 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 -6.837 1.257 -2.835 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -6.801 -0.091 1.046 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -7.912 -0.718 1.591 0.00 0.00 +0.002 A ATOM 34 N LIG 1 -7.936 0.641 -2.384 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 -9.035 -0.897 0.801 0.00 0.00 +0.015 A BRANCH 26 39 ATOM 36 N LIG 1 -10.404 -0.315 -2.585 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -9.620 0.146 -3.039 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -11.273 -0.441 -3.084 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 -10.332 -0.685 -1.276 0.00 0.00 +0.244 C ATOM 40 O LIG 1 -11.307 -1.195 -0.732 0.00 0.00 -0.270 OA ENDBRANCH 26 39 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8