REMARK Name = BDB036101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.046 1.551 2.110 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -2.965 1.348 2.966 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -3.062 1.603 4.290 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -4.236 2.066 4.742 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -5.331 2.292 4.008 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -5.214 2.004 2.697 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.729 0.853 2.488 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -0.511 0.857 3.254 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.247 0.715 1.914 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.467 1.627 1.787 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.029 1.528 0.367 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.377 0.157 -0.037 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.224 -0.745 0.123 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.598 -0.726 1.522 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.058 1.267 1.288 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.599 -0.321 0.629 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.268 -1.515 -0.094 0.00 0.00 +0.006 C ATOM 18 C LIG 1 4.575 -1.264 -1.595 0.00 0.00 -0.006 C ATOM 19 C LIG 1 5.646 -0.166 -1.757 0.00 0.00 +0.011 C ATOM 20 C LIG 1 6.962 -0.569 -1.042 0.00 0.00 -0.019 C ATOM 21 C LIG 1 6.754 -1.972 -0.370 0.00 0.00 -0.004 C ATOM 22 C LIG 1 6.375 -3.024 -1.434 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.415 0.509 -0.028 0.00 0.00 +0.081 C ATOM 24 C LIG 1 8.911 0.320 0.006 0.00 0.00 +0.134 C ATOM 25 O LIG 1 9.636 0.778 0.881 0.00 0.00 -0.297 OA ATOM 26 C LIG 1 9.408 -0.487 -1.160 0.00 0.00 +0.075 C ATOM 27 C LIG 1 8.157 -0.550 -2.030 0.00 0.00 +0.015 C ATOM 28 C LIG 1 5.134 -2.565 -2.206 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.574 -1.922 0.629 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.954 1.216 0.784 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 -5.592 1.685 -0.907 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -4.506 2.090 -0.121 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -3.930 3.349 -0.322 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -4.478 4.215 -1.270 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.598 3.823 -2.000 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -6.141 4.676 -2.877 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.172 2.571 -1.820 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -5.854 -0.788 -1.176 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -6.282 0.424 -0.620 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -7.241 0.542 0.142 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -3.393 -0.775 -1.712 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -4.818 -0.965 -2.225 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -5.079 -0.169 -3.504 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -6.522 -2.028 -0.709 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -7.973 -2.115 -1.184 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -6.402 -2.241 0.803 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8