REMARK Name = BDB003772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.250 -1.322 -0.064 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -2.011 -0.354 0.458 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.349 -0.546 0.598 0.00 0.00 +0.163 A ATOM 4 N LIG 1 -4.105 0.507 1.174 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -5.197 1.047 0.467 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -6.274 0.238 0.084 0.00 0.00 +0.063 A ATOM 7 C LIG 1 -6.409 -1.180 0.492 0.00 0.00 +0.261 A ATOM 8 N LIG 1 -5.334 -2.076 0.446 0.00 0.00 -0.307 N ATOM 9 C LIG 1 -5.672 -3.490 0.604 0.00 0.00 +0.152 C ATOM 10 O LIG 1 -7.553 -1.556 0.768 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -7.359 0.781 -0.636 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -7.380 2.125 -0.997 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.320 2.940 -0.630 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -5.248 2.408 0.093 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.277 1.441 1.944 0.00 0.00 +0.151 C ATOM 16 C LIG 1 -3.956 -1.745 0.231 0.00 0.00 +0.106 A ATOM 17 C LIG 1 -3.072 -2.681 -0.284 0.00 0.00 +0.144 A ATOM 18 N LIG 1 -1.745 -2.502 -0.443 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 19 ATOM 19 N LIG 1 0.124 -1.183 -0.223 0.00 0.00 -0.284 N ATOM 20 H LIG 1 0.497 -2.034 -0.617 0.00 0.00 +0.155 HD BRANCH 19 23 ATOM 21 C LIG 1 3.377 0.634 -0.061 0.00 0.00 +0.032 A ATOM 22 C LIG 1 2.395 -0.366 -0.202 0.00 0.00 +0.046 A ATOM 23 C LIG 1 1.014 -0.110 -0.099 0.00 0.00 +0.035 A ATOM 24 C LIG 1 0.620 1.199 0.172 0.00 0.00 +0.023 A ATOM 25 C LIG 1 1.565 2.217 0.302 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.928 1.936 0.179 0.00 0.00 +0.023 A BRANCH 21 31 ATOM 27 C LIG 1 8.899 -0.669 -0.091 0.00 0.00 +0.105 C ATOM 28 N LIG 1 7.604 -0.108 0.288 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 6.615 -1.185 0.515 0.00 0.00 +0.103 C ATOM 30 C LIG 1 5.204 -0.649 0.859 0.00 0.00 +0.120 C ATOM 31 N LIG 1 4.733 0.288 -0.191 0.00 0.00 -0.327 N ATOM 32 C LIG 1 5.705 1.377 -0.430 0.00 0.00 +0.120 C ATOM 33 C LIG 1 7.097 0.794 -0.770 0.00 0.00 +0.103 C ENDBRANCH 21 31 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 3