REMARK Name = BDB063419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.774 0.058 -0.255 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.223 -1.267 -0.360 0.00 0.00 +0.024 A ATOM 3 C LIG 1 2.588 -1.588 -0.328 0.00 0.00 +0.013 A ATOM 4 C LIG 1 3.553 -0.584 -0.192 0.00 0.00 +0.017 A ATOM 5 C LIG 1 3.108 0.739 -0.083 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.742 1.053 -0.116 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.992 -0.865 -0.156 0.00 0.00 +0.139 A ATOM 8 N LIG 1 5.559 -2.070 -0.503 0.00 0.00 -0.338 N ATOM 9 H LIG 1 5.058 -2.882 -0.827 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 6.921 -1.985 -0.362 0.00 0.00 +0.067 A ATOM 11 C LIG 1 7.143 -0.684 0.077 0.00 0.00 +0.102 A ATOM 12 C LIG 1 8.464 -0.262 0.323 0.00 0.00 +0.064 A ATOM 13 C LIG 1 9.510 -1.181 0.112 0.00 0.00 +0.015 A ATOM 14 C LIG 1 9.250 -2.480 -0.332 0.00 0.00 +0.003 A ATOM 15 C LIG 1 7.943 -2.912 -0.580 0.00 0.00 +0.028 A ATOM 16 N LIG 1 5.940 -0.011 0.192 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 8.782 1.106 0.795 0.00 0.00 +0.244 C ATOM 18 O LIG 1 9.937 1.461 0.999 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 7.737 1.960 0.996 0.00 0.00 -0.325 N ATOM 20 H LIG 1 6.777 1.661 0.835 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 7.921 2.895 1.327 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 -0.601 0.304 -0.298 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -1.213 -0.494 -0.392 0.00 0.00 +0.155 HD BRANCH 22 26 ATOM 24 C LIG 1 -3.552 2.271 -0.195 0.00 0.00 +0.130 A ATOM 25 N LIG 1 -2.707 1.224 -0.281 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 -1.387 1.448 -0.202 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -0.858 2.667 -0.040 0.00 0.00 -0.223 NA ATOM 28 C LIG 1 -1.713 3.696 0.059 0.00 0.00 +0.118 A ATOM 29 C LIG 1 -3.075 3.555 -0.011 0.00 0.00 +0.064 A BRANCH 24 31 ATOM 30 C LIG 1 -5.527 2.667 -1.470 0.00 0.00 +0.137 C ATOM 31 N LIG 1 -4.959 2.050 -0.266 0.00 0.00 -0.288 N BRANCH 31 32 ATOM 32 C LIG 1 -5.580 0.866 0.211 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -6.689 0.261 -0.401 0.00 0.00 +0.033 A ATOM 34 C LIG 1 -7.289 -0.905 0.125 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -6.788 -1.497 1.300 0.00 0.00 +0.071 A ATOM 36 N LIG 1 -7.326 -2.607 1.838 0.00 0.00 -0.255 NA ATOM 37 C LIG 1 -8.387 -3.163 1.213 0.00 0.00 +0.111 A ATOM 38 C LIG 1 -8.950 -2.660 0.057 0.00 0.00 +0.020 A ATOM 39 C LIG 1 -5.704 -0.897 1.913 0.00 0.00 +0.030 A ATOM 40 C LIG 1 -8.391 -1.513 -0.493 0.00 0.00 +0.011 A ATOM 41 C LIG 1 -5.111 0.260 1.388 0.00 0.00 +0.025 A ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 6