REMARK Name = BDB035934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.202 -0.850 2.145 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.886 0.573 1.875 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.328 0.817 0.948 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -1.526 0.101 1.437 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -1.284 -1.328 1.745 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.032 -1.502 2.639 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.751 0.371 0.809 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.894 1.096 -0.381 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.066 1.377 -1.002 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -5.195 0.939 -0.401 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -5.187 0.234 0.795 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -3.955 -0.044 1.393 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -6.486 1.265 -1.087 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -7.436 0.250 -1.079 0.00 0.00 -0.307 N ATOM 15 H LIG 1 -7.155 -0.680 -0.793 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.665 2.354 -1.623 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.696 0.395 -1.735 0.00 0.00 +0.073 C ATOM 18 C LIG 1 -9.794 -0.610 -1.518 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -9.921 0.773 -0.951 0.00 0.00 +0.024 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 1.745 -1.553 0.975 0.00 0.00 +0.121 C BRANCH 20 26 ATOM 21 C LIG 1 8.055 0.081 0.839 0.00 0.00 +0.047 C ATOM 22 C LIG 1 7.092 0.110 -0.319 0.00 0.00 -0.006 A ATOM 23 C LIG 1 5.707 -0.307 -0.000 0.00 0.00 +0.091 A ATOM 24 C LIG 1 4.734 -0.265 -0.995 0.00 0.00 +0.068 A ATOM 25 C LIG 1 3.432 -0.659 -0.699 0.00 0.00 +0.034 A ATOM 26 C LIG 1 3.131 -1.091 0.596 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.170 -1.109 1.524 0.00 0.00 +0.116 A ATOM 28 N LIG 1 5.069 0.167 -2.278 0.00 0.00 -0.320 N ATOM 29 H LIG 1 4.372 0.216 -3.009 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 6.332 0.554 -2.632 0.00 0.00 +0.261 A ATOM 31 O LIG 1 6.549 0.946 -3.773 0.00 0.00 -0.267 OA ATOM 32 N LIG 1 5.442 -0.731 1.254 0.00 0.00 -0.253 NA ATOM 33 C LIG 1 7.395 0.486 -1.586 0.00 0.00 +0.124 A BRANCH 33 34 ATOM 34 C LIG 1 8.725 0.864 -2.148 0.00 0.00 +0.423 C ATOM 35 F LIG 1 9.756 0.647 -1.288 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.789 2.181 -2.474 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.046 0.151 -3.260 0.00 0.00 -0.166 F ENDBRANCH 33 34 ENDBRANCH 20 26 ENDBRANCH 1 20 TORSDOF 6