REMARK Name = BDB054248 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.794 -1.399 1.503 0.00 0.00 -0.253 N ATOM 2 C LIG 1 1.614 -2.542 1.482 0.00 0.00 +0.307 C ATOM 3 N LIG 1 1.002 -3.722 1.839 0.00 0.00 -0.295 N ATOM 4 H LIG 1 0.013 -3.804 1.686 0.00 0.00 +0.151 HD ATOM 5 O LIG 1 2.815 -2.512 1.215 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 2.633 2.183 0.164 0.00 0.00 -0.015 A ATOM 7 C LIG 1 2.418 1.117 -0.720 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.818 -0.066 -0.277 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.398 -0.190 1.050 0.00 0.00 +0.038 A ATOM 10 C LIG 1 1.650 0.850 1.947 0.00 0.00 +0.024 A ATOM 11 C LIG 1 2.255 2.032 1.505 0.00 0.00 +0.010 A BRANCH 6 16 ATOM 12 C LIG 1 4.035 6.031 -2.644 0.00 0.00 +0.172 C ATOM 13 N LIG 1 3.855 5.115 -1.544 0.00 0.00 -0.274 N ATOM 14 N LIG 1 4.417 5.392 -0.354 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 4.051 4.359 0.409 0.00 0.00 +0.142 A ATOM 16 C LIG 1 3.253 3.418 -0.284 0.00 0.00 +0.020 A ATOM 17 C LIG 1 3.145 3.950 -1.553 0.00 0.00 +0.116 A ENDBRANCH 6 16 ENDBRANCH 1 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.678 -1.432 1.725 0.00 0.00 +0.083 C ATOM 19 C LIG 1 -1.435 -1.971 0.490 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -1.762 -0.906 -0.553 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -2.526 0.278 0.050 0.00 0.00 +0.072 C ATOM 22 C LIG 1 -1.739 0.883 1.217 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -1.369 -0.164 2.268 0.00 0.00 +0.025 C BRANCH 21 24 ATOM 24 N LIG 1 -2.737 1.264 -1.012 0.00 0.00 -0.326 N ATOM 25 H LIG 1 -1.865 1.720 -1.289 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.613 2.310 -0.753 0.00 0.00 +0.119 A ATOM 27 N LIG 1 -3.113 3.544 -0.954 0.00 0.00 -0.239 NA ATOM 28 C LIG 1 -3.930 4.603 -0.731 0.00 0.00 +0.131 A ATOM 29 C LIG 1 -5.246 4.489 -0.317 0.00 0.00 +0.070 A ATOM 30 C LIG 1 -5.755 3.208 -0.127 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -4.929 2.106 -0.352 0.00 0.00 +0.045 A BRANCH 29 32 ATOM 32 C LIG 1 -6.047 5.651 -0.103 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -6.699 6.594 0.074 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 21 24 ENDBRANCH 1 18 BRANCH 3 34 ATOM 34 C LIG 1 1.718 -4.979 1.769 0.00 0.00 +0.141 C BRANCH 34 35 ATOM 35 C LIG 1 1.407 -5.694 0.478 0.00 0.00 -0.030 A ATOM 36 C LIG 1 0.416 -6.685 0.427 0.00 0.00 +0.005 A ATOM 37 C LIG 1 0.114 -7.321 -0.778 0.00 0.00 +0.000 A ATOM 38 C LIG 1 0.792 -6.968 -1.944 0.00 0.00 +0.000 A ATOM 39 C LIG 1 1.772 -5.978 -1.906 0.00 0.00 +0.000 A ATOM 40 C LIG 1 2.077 -5.342 -0.702 0.00 0.00 +0.005 A ENDBRANCH 34 35 ENDBRANCH 3 34 TORSDOF 8