REMARK Name = BDB034649 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.190 0.468 -2.107 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -1.494 0.072 -1.743 0.00 0.00 +0.267 C ATOM 3 O LIG 1 -2.281 -0.426 -2.554 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.911 0.602 -1.111 0.00 0.00 +0.091 C ATOM 5 C LIG 1 1.946 -0.543 -1.240 0.00 0.00 +0.038 C ATOM 6 C LIG 1 3.332 -0.160 -0.704 0.00 0.00 +0.092 C ATOM 7 C LIG 1 3.831 1.175 -1.303 0.00 0.00 +0.094 C ATOM 8 N LIG 1 2.806 2.063 -1.873 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 2.603 1.788 -2.833 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 1.566 2.003 -1.089 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 3.374 -0.133 0.786 0.00 0.00 +0.222 A ATOM 12 O LIG 1 4.587 -0.376 1.375 0.00 0.00 -0.424 OA ATOM 13 C LIG 1 4.276 -0.277 2.706 0.00 0.00 +0.220 A ATOM 14 N LIG 1 3.003 -0.006 2.907 0.00 0.00 -0.112 NA ATOM 15 N LIG 1 2.418 0.086 1.662 0.00 0.00 -0.112 NA BRANCH 13 16 ATOM 16 C LIG 1 5.301 -0.463 3.860 0.00 0.00 +0.077 C ATOM 17 C LIG 1 6.760 -0.179 3.613 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.292 -1.595 3.788 0.00 0.00 +0.013 C ENDBRANCH 13 16 ENDBRANCH 6 11 ENDBRANCH 1 4 BRANCH 2 19 ATOM 19 C LIG 1 -1.984 0.278 -0.338 0.00 0.00 +0.146 A ATOM 20 C LIG 1 -2.848 -0.664 0.247 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -3.246 -0.399 1.565 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -2.858 0.769 2.247 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -2.041 1.640 1.521 0.00 0.00 +0.115 A ATOM 24 N LIG 1 -1.601 1.440 0.259 0.00 0.00 -0.248 NA BRANCH 22 25 ATOM 25 C LIG 1 -3.271 1.102 3.667 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -3.427 0.022 4.711 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.640 0.739 4.190 0.00 0.00 +0.009 C ENDBRANCH 22 25 BRANCH 20 28 ATOM 28 N LIG 1 -3.203 -1.875 -0.406 0.00 0.00 -0.335 N ATOM 29 H LIG 1 -3.157 -1.732 -1.427 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.255 -2.770 -0.010 0.00 0.00 +0.122 C ATOM 31 C LIG 1 -3.852 -3.785 1.070 0.00 0.00 +0.184 C ATOM 32 O LIG 1 -4.314 -4.892 0.252 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 -4.369 -4.014 -0.904 0.00 0.00 +0.184 C ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 2 19 BRANCH 1 34 ATOM 34 C LIG 1 0.101 0.571 -3.544 0.00 0.00 +0.111 C BRANCH 34 36 ATOM 35 C LIG 1 -1.672 2.336 -4.104 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.192 1.957 -4.156 0.00 0.00 +0.000 C ATOM 37 C LIG 1 0.294 1.987 -5.609 0.00 0.00 +0.009 C ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 9