REMARK Name = BDB047473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.914 -0.094 -0.080 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -5.582 0.354 -0.240 0.00 0.00 +0.176 A ATOM 3 O LIG 1 -4.901 0.583 0.939 0.00 0.00 -0.432 OA ATOM 4 C LIG 1 -3.623 0.077 1.023 0.00 0.00 +0.247 A ATOM 5 C LIG 1 -2.615 0.650 0.263 0.00 0.00 +0.131 A ATOM 6 N LIG 1 -2.888 1.630 -0.717 0.00 0.00 -0.333 N ATOM 7 H LIG 1 -2.031 2.091 -1.013 0.00 0.00 +0.147 HD ATOM 8 C LIG 1 -3.661 1.096 -1.831 0.00 0.00 +0.141 C ATOM 9 C LIG 1 -1.334 0.141 0.510 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -1.100 -0.793 1.451 0.00 0.00 -0.218 NA ATOM 11 C LIG 1 -2.163 -1.242 2.136 0.00 0.00 +0.227 A ATOM 12 N LIG 1 -3.429 -0.856 1.972 0.00 0.00 -0.199 NA ATOM 13 C LIG 1 -5.055 0.602 -1.520 0.00 0.00 +0.016 A ATOM 14 C LIG 1 -5.881 0.341 -2.634 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -7.187 -0.120 -2.479 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -7.705 -0.333 -1.205 0.00 0.00 +0.049 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -8.660 -0.743 1.421 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -7.338 -0.270 1.215 0.00 0.00 -0.491 OA ENDBRANCH 1 18 BRANCH 9 19 ATOM 19 N LIG 1 -0.261 0.629 -0.290 0.00 0.00 -0.295 N ATOM 20 H LIG 1 -0.523 0.530 -1.265 0.00 0.00 +0.154 HD BRANCH 19 21 ATOM 21 C LIG 1 1.114 0.424 -0.090 0.00 0.00 +0.069 A ATOM 22 C LIG 1 1.721 0.206 1.132 0.00 0.00 +0.139 A ATOM 23 N LIG 1 3.059 0.088 1.321 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 3.833 0.222 0.235 0.00 0.00 +0.222 A ATOM 25 N LIG 1 3.364 0.467 -0.990 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 2.026 0.578 -1.118 0.00 0.00 +0.139 A BRANCH 24 27 ATOM 27 N LIG 1 5.186 0.075 0.490 0.00 0.00 -0.250 N ATOM 28 H LIG 1 5.376 -0.085 1.465 0.00 0.00 +0.158 HD ATOM 29 C LIG 1 6.203 0.216 -0.419 0.00 0.00 +0.250 C ATOM 30 O LIG 1 6.105 0.542 -1.596 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 7.568 -0.027 0.132 0.00 0.00 +0.037 A ATOM 32 C LIG 1 7.807 -0.982 1.131 0.00 0.00 +0.013 A ATOM 33 C LIG 1 9.102 -1.174 1.617 0.00 0.00 +0.001 A ATOM 34 C LIG 1 10.161 -0.424 1.105 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.931 0.514 0.099 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.639 0.709 -0.391 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 19 21 ENDBRANCH 9 19 TORSDOF 5