REMARK Name = BDB024762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.632 -1.559 -0.389 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.946 -0.495 0.224 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.668 0.763 0.539 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.702 0.554 1.661 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.771 1.936 0.965 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.513 1.976 0.129 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.786 0.682 0.346 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.380 0.636 0.461 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.472 1.669 0.431 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.716 1.116 0.562 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.605 -0.255 0.676 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.731 -0.582 0.617 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.421 -1.793 0.674 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.817 -1.737 0.556 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.514 -0.530 0.382 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.156 -2.643 -0.712 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.679 -2.292 -1.291 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.941 -1.254 -0.645 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.704 -1.200 0.802 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.321 -1.532 -0.561 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 3.551 -2.328 -0.464 0.00 0.00 -0.308 NA ATOM 22 H LIG 1 3.736 -2.756 -1.372 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 4.712 -1.491 -0.125 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 5.951 -2.302 -0.092 0.00 0.00 +0.139 A ATOM 25 O LIG 1 6.187 -3.073 1.014 0.00 0.00 -0.446 OA ATOM 26 C LIG 1 7.376 -3.675 0.740 0.00 0.00 +0.308 A ATOM 27 N LIG 1 7.915 -3.353 -0.413 0.00 0.00 -0.224 NA ATOM 28 C LIG 1 7.010 -2.476 -0.953 0.00 0.00 +0.157 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 2.004 1.872 0.536 0.00 0.00 +0.097 C BRANCH 29 30 ATOM 30 C LIG 1 2.205 2.527 -0.825 0.00 0.00 +0.151 C BRANCH 30 31 ATOM 31 N LIG 1 3.567 2.996 -0.989 0.00 0.00 -0.271 N ATOM 32 N LIG 1 4.559 2.102 -1.188 0.00 0.00 -0.180 NA ATOM 33 C LIG 1 5.644 2.866 -1.331 0.00 0.00 +0.134 A ATOM 34 C LIG 1 5.353 4.238 -1.209 0.00 0.00 +0.041 A ATOM 35 C LIG 1 3.998 4.290 -0.989 0.00 0.00 +0.108 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 9