REMARK Name = BDB018091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.796 -1.104 -2.255 0.00 0.00 +0.005 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.584 -2.357 -1.786 0.00 0.00 +0.007 C BRANCH 2 4 ATOM 3 C LIG 1 -2.278 -2.998 0.667 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -3.199 -2.343 -0.369 0.00 0.00 -0.017 C ATOM 5 C LIG 1 -4.537 -3.093 -0.371 0.00 0.00 +0.007 C ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 C LIG 1 -2.714 0.006 -2.814 0.00 0.00 +0.078 C BRANCH 6 7 ATOM 7 C LIG 1 -3.592 0.686 -1.789 0.00 0.00 +0.111 A ATOM 8 N LIG 1 -4.902 0.290 -1.765 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -5.245 -0.421 -2.396 0.00 0.00 +0.170 HD ATOM 10 C LIG 1 -5.822 0.786 -0.878 0.00 0.00 +0.259 A ATOM 11 O LIG 1 -6.984 0.398 -0.860 0.00 0.00 -0.267 OA ATOM 12 C LIG 1 -5.318 1.808 0.053 0.00 0.00 +0.065 A ATOM 13 C LIG 1 -3.970 2.163 -0.050 0.00 0.00 +0.078 A ATOM 14 C LIG 1 -3.466 3.130 0.821 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -4.295 3.729 1.775 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.639 3.363 1.866 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.157 2.399 1.003 0.00 0.00 +0.015 A ATOM 18 N LIG 1 -3.104 1.579 -0.991 0.00 0.00 -0.234 NA ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 C LIG 1 -0.780 -0.542 -1.244 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 0.447 -1.428 -1.046 0.00 0.00 +0.216 C ATOM 21 N LIG 1 1.367 -1.001 -0.091 0.00 0.00 -0.301 N ATOM 22 C LIG 1 1.175 0.184 0.743 0.00 0.00 +0.108 C ATOM 23 C LIG 1 2.312 0.401 1.735 0.00 0.00 +0.030 C ATOM 24 C LIG 1 3.677 0.324 1.036 0.00 0.00 +0.063 C ATOM 25 C LIG 1 3.810 -0.931 0.154 0.00 0.00 +0.030 C ATOM 26 C LIG 1 2.559 -1.804 0.161 0.00 0.00 +0.108 C ATOM 27 O LIG 1 0.618 -2.449 -1.711 0.00 0.00 -0.276 OA BRANCH 24 28 ATOM 28 C LIG 1 4.816 0.380 2.055 0.00 0.00 +0.169 C ATOM 29 O LIG 1 4.635 0.051 3.227 0.00 0.00 -0.292 OA BRANCH 28 30 ATOM 30 C LIG 1 6.134 0.818 1.613 0.00 0.00 +0.055 A ATOM 31 C LIG 1 6.547 1.203 0.351 0.00 0.00 +0.119 A ATOM 32 N LIG 1 7.872 1.517 0.460 0.00 0.00 -0.274 N ATOM 33 C LIG 1 8.750 1.970 -0.593 0.00 0.00 +0.172 C ATOM 34 N LIG 1 8.355 1.368 1.704 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 7.300 0.942 2.402 0.00 0.00 +0.145 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8