REMARK Name = BDB034632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.812 -0.060 2.341 0.00 0.00 +0.252 C ATOM 2 N LIG 1 0.493 0.438 2.501 0.00 0.00 -0.293 N ATOM 3 O LIG 1 -1.309 -0.921 3.067 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.279 0.929 1.338 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.059 -0.210 0.651 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.264 0.308 -0.162 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.032 1.754 -0.614 0.00 0.00 +0.093 C ATOM 8 N LIG 1 2.913 2.685 0.515 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 2.443 3.534 0.197 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.204 2.121 1.672 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 3.532 -0.547 -1.398 0.00 0.00 +0.220 C ATOM 12 N LIG 1 4.837 -0.629 -1.859 0.00 0.00 -0.297 N ATOM 13 C LIG 1 6.016 -0.044 -1.208 0.00 0.00 +0.136 C ATOM 14 C LIG 1 7.202 0.040 -2.173 0.00 0.00 +0.179 C ATOM 15 O LIG 1 7.585 -1.230 -2.715 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 6.495 -2.147 -2.884 0.00 0.00 +0.179 C ATOM 17 C LIG 1 5.128 -1.470 -3.025 0.00 0.00 +0.136 C ATOM 18 O LIG 1 2.606 -1.097 -1.995 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 20 ATOM 19 C LIG 1 -2.359 -0.307 0.393 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -1.675 0.495 1.292 0.00 0.00 +0.095 A ATOM 21 C LIG 1 -1.909 1.850 1.227 0.00 0.00 +0.129 A ATOM 22 N LIG 1 -2.703 2.421 0.303 0.00 0.00 -0.239 NA ATOM 23 C LIG 1 -3.305 1.585 -0.568 0.00 0.00 +0.136 A ATOM 24 N LIG 1 -3.151 0.246 -0.549 0.00 0.00 -0.216 NA BRANCH 23 25 ATOM 25 C LIG 1 -4.194 2.204 -1.644 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -4.895 1.132 -2.502 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -5.277 3.072 -0.978 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -3.327 3.078 -2.567 0.00 0.00 +0.019 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 29 N LIG 1 -2.160 -1.711 0.407 0.00 0.00 -0.325 N ATOM 30 H LIG 1 -2.128 -2.017 1.385 0.00 0.00 +0.148 HD BRANCH 29 33 ATOM 31 C LIG 1 -4.152 -2.893 -2.058 0.00 0.00 +0.121 C ATOM 32 C LIG 1 -2.667 -2.475 -1.944 0.00 0.00 +0.054 C ATOM 33 C LIG 1 -2.768 -2.704 -0.430 0.00 0.00 +0.077 C ATOM 34 C LIG 1 -4.299 -2.652 -0.537 0.00 0.00 +0.054 C BRANCH 31 36 ATOM 35 C LIG 1 -5.734 -4.627 -2.681 0.00 0.00 +0.194 C ATOM 36 O LIG 1 -4.375 -4.249 -2.514 0.00 0.00 -0.380 OA ENDBRANCH 31 36 ENDBRANCH 29 33 ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 2 37 ATOM 37 C LIG 1 1.232 -0.076 3.665 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 C LIG 1 0.736 0.505 5.004 0.00 0.00 +0.000 C ATOM 39 C LIG 1 1.462 -0.177 6.165 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.943 2.018 5.078 0.00 0.00 +0.009 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 9