REMARK Name = BDB060583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.735 -0.011 -2.080 0.00 0.00 -0.324 N ATOM 2 H LIG 1 -0.183 0.847 -1.980 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 14 ATOM 3 C LIG 1 -5.099 4.575 -0.701 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -4.267 3.333 -0.747 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -3.292 3.229 -1.871 0.00 0.00 +0.252 A ATOM 6 O LIG 1 -3.207 4.098 -2.733 0.00 0.00 -0.268 OA ATOM 7 N LIG 1 -2.493 2.124 -1.885 0.00 0.00 -0.319 N ATOM 8 H LIG 1 -1.852 2.027 -2.663 0.00 0.00 +0.169 HD ATOM 9 C LIG 1 -2.571 1.076 -0.950 0.00 0.00 +0.090 A ATOM 10 C LIG 1 -3.531 1.131 0.074 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.623 0.049 0.961 0.00 0.00 +0.045 A ATOM 12 C LIG 1 -2.730 -1.002 0.762 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -1.784 -1.057 -0.209 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 -1.697 -0.022 -1.059 0.00 0.00 +0.143 A ATOM 15 C LIG 1 -4.366 2.342 0.155 0.00 0.00 +0.019 A BRANCH 11 16 ATOM 16 C LIG 1 -4.575 -0.043 2.057 0.00 0.00 +0.137 A ATOM 17 O LIG 1 -5.881 0.210 1.748 0.00 0.00 -0.463 OA ATOM 18 C LIG 1 -6.603 0.040 2.885 0.00 0.00 +0.196 A ATOM 19 C LIG 1 -5.784 -0.330 3.924 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -4.474 -0.393 3.389 0.00 0.00 +0.050 A ENDBRANCH 11 16 ENDBRANCH 1 14 BRANCH 1 21 ATOM 21 C LIG 1 0.185 -1.148 -2.281 0.00 0.00 +0.086 C ATOM 22 C LIG 1 1.116 -1.458 -1.100 0.00 0.00 +0.109 C ATOM 23 C LIG 1 2.066 -2.600 -1.496 0.00 0.00 +0.098 C ATOM 24 N LIG 1 1.330 -3.800 -1.926 0.00 0.00 -0.304 NA ATOM 25 C LIG 1 2.256 -4.887 -2.246 0.00 0.00 +0.104 C ATOM 26 C LIG 1 0.461 -3.513 -3.077 0.00 0.00 +0.086 C ATOM 27 C LIG 1 -0.544 -2.407 -2.758 0.00 0.00 +0.038 C BRANCH 22 28 ATOM 28 C LIG 1 1.942 -0.243 -0.708 0.00 0.00 +0.219 C ATOM 29 N LIG 1 2.573 -0.363 0.514 0.00 0.00 -0.312 N ATOM 30 H LIG 1 2.491 -1.234 1.025 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 2.045 0.755 -1.416 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 3.481 0.656 1.019 0.00 0.00 +0.073 C ATOM 33 C LIG 1 3.583 0.582 2.543 0.00 0.00 +0.022 C ATOM 34 C LIG 1 4.452 1.706 3.111 0.00 0.00 +0.002 C ATOM 35 C LIG 1 5.545 2.179 2.152 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.008 1.062 1.227 0.00 0.00 +0.002 C ATOM 37 C LIG 1 4.865 0.525 0.361 0.00 0.00 +0.022 C ENDBRANCH 29 32 ENDBRANCH 22 28 ENDBRANCH 1 21 TORSDOF 5