REMARK Name = BDB055474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.842 -0.782 1.819 0.00 0.00 +0.215 A ATOM 2 N LIG 1 0.842 -0.699 0.941 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.130 -0.300 -0.310 0.00 0.00 +0.127 A ATOM 4 C LIG 1 2.428 0.023 -0.659 0.00 0.00 +0.072 A ATOM 5 C LIG 1 3.411 -0.112 0.304 0.00 0.00 +0.078 A ATOM 6 N LIG 1 3.120 -0.527 1.553 0.00 0.00 -0.215 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.834 0.200 0.049 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.630 0.749 1.078 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.973 1.038 0.806 0.00 0.00 +0.068 A ATOM 10 C LIG 1 7.565 0.804 -0.427 0.00 0.00 +0.041 A ATOM 11 C LIG 1 8.909 1.233 -0.264 0.00 0.00 +0.146 A ATOM 12 N LIG 1 9.150 1.692 0.960 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 6.784 0.253 -1.457 0.00 0.00 +0.014 A ATOM 14 N LIG 1 7.965 1.573 1.583 0.00 0.00 -0.275 N ATOM 15 H LIG 1 7.898 1.874 2.548 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 5.433 -0.043 -1.202 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 9.851 1.174 -1.218 0.00 0.00 -0.341 N ATOM 18 H LIG 1 9.768 0.485 -1.954 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 10.804 1.291 -0.889 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 0.093 -0.161 -1.245 0.00 0.00 -0.314 N ATOM 21 C LIG 1 -1.265 -0.253 -0.674 0.00 0.00 +0.119 C ATOM 22 C LIG 1 -2.346 -0.347 -1.764 0.00 0.00 +0.092 C ATOM 23 C LIG 1 -1.916 0.416 -3.020 0.00 0.00 +0.016 C ATOM 24 C LIG 1 -0.598 -0.121 -3.584 0.00 0.00 +0.020 C ATOM 25 C LIG 1 0.272 -0.822 -2.537 0.00 0.00 +0.106 C BRANCH 22 26 ATOM 26 C LIG 1 -3.676 0.158 -1.221 0.00 0.00 +0.218 C ATOM 27 N LIG 1 -4.205 -0.623 -0.211 0.00 0.00 -0.312 N ATOM 28 H LIG 1 -3.631 -1.344 0.205 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 -4.242 1.156 -1.656 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 -5.410 -0.226 0.504 0.00 0.00 +0.073 C ATOM 31 C LIG 1 -6.080 -1.441 1.147 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -7.402 -1.072 1.823 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -7.444 0.365 2.343 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -6.061 0.865 2.736 0.00 0.00 +0.002 C ATOM 35 C LIG 1 -5.091 0.854 1.553 0.00 0.00 +0.022 C ENDBRANCH 27 30 ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 36 ATOM 36 N LIG 1 1.538 -1.220 3.092 0.00 0.00 -0.327 N ATOM 37 H LIG 1 0.695 -1.774 3.068 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 2.358 -1.637 3.509 0.00 0.00 +0.145 HD ENDBRANCH 1 36 TORSDOF 6