REMARK Name = BDB022606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.646 3.139 -3.006 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -2.031 4.013 -2.662 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.222 2.078 -2.329 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -1.818 0.740 -2.481 0.00 0.00 -0.183 N ATOM 5 C LIG 1 -2.423 -0.253 -1.758 0.00 0.00 +0.166 A ATOM 6 C LIG 1 -1.798 -1.431 -2.119 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -0.842 -1.027 -3.085 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -3.423 0.048 -0.894 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -3.783 1.301 -0.799 0.00 0.00 +0.220 A ATOM 10 N LIG 1 -0.848 0.290 -3.312 0.00 0.00 -0.170 NA ATOM 11 N LIG 1 -3.208 2.333 -1.509 0.00 0.00 -0.181 NA BRANCH 6 12 ATOM 12 C LIG 1 -2.077 -2.805 -1.587 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -2.065 -3.874 -2.683 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -1.092 -3.173 -0.473 0.00 0.00 +0.012 C ENDBRANCH 6 12 BRANCH 9 15 ATOM 15 N LIG 1 -4.792 1.696 0.032 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -5.098 2.640 -0.182 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -5.796 0.783 0.557 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -5.232 -0.008 1.746 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -6.300 -0.309 2.791 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -7.553 -0.539 2.153 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -8.094 0.640 1.555 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -7.031 1.575 0.984 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 -0.234 3.254 -3.320 0.00 0.00 +0.139 C BRANCH 23 26 ATOM 24 C LIG 1 1.976 2.510 -0.284 0.00 0.00 +0.034 A ATOM 25 C LIG 1 1.243 2.361 -1.469 0.00 0.00 +0.028 A ATOM 26 C LIG 1 0.581 3.448 -2.063 0.00 0.00 -0.029 A ATOM 27 C LIG 1 0.662 4.704 -1.448 0.00 0.00 +0.005 A ATOM 28 C LIG 1 1.399 4.864 -0.274 0.00 0.00 +0.002 A ATOM 29 C LIG 1 2.054 3.772 0.304 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 30 C LIG 1 3.366 1.242 1.377 0.00 0.00 +0.222 C ATOM 31 N LIG 1 2.585 1.351 0.238 0.00 0.00 -0.285 N ATOM 32 H LIG 1 2.399 0.497 -0.278 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 3.689 2.161 2.121 0.00 0.00 -0.275 OA BRANCH 30 37 ATOM 34 C LIG 1 5.926 -2.630 -0.100 0.00 0.00 +0.239 C ATOM 35 N LIG 1 5.695 -1.700 0.906 0.00 0.00 -0.297 N ATOM 36 C LIG 1 4.942 -0.492 0.573 0.00 0.00 +0.120 C ATOM 37 C LIG 1 3.854 -0.189 1.612 0.00 0.00 +0.093 C ATOM 38 C LIG 1 4.340 -0.422 3.058 0.00 0.00 +0.016 C ATOM 39 C LIG 1 5.855 -0.593 3.139 0.00 0.00 +0.020 C ATOM 40 C LIG 1 6.317 -1.732 2.231 0.00 0.00 +0.108 C ATOM 41 O LIG 1 5.419 -2.544 -1.217 0.00 0.00 -0.271 OA BRANCH 34 43 ATOM 42 C LIG 1 7.221 -4.617 -0.745 0.00 0.00 +0.013 C ATOM 43 C LIG 1 6.827 -3.775 0.222 0.00 0.00 +0.060 C ENDBRANCH 34 43 ENDBRANCH 30 37 ENDBRANCH 24 31 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 9