REMARK Name = LIG000535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.605 -1.328 -0.886 0.00 0.00 -0.321 N ATOM 2 C LIG 1 0.242 -2.414 -1.439 0.00 0.00 +0.091 C ATOM 3 C LIG 1 1.721 -2.115 -1.020 0.00 0.00 +0.127 C ATOM 4 N LIG 1 1.862 -2.093 0.467 0.00 0.00 -0.324 N ATOM 5 C LIG 1 0.805 -1.276 1.136 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -0.283 -3.670 -0.720 0.00 0.00 +0.026 C ATOM 7 C LIG 1 -0.857 -3.148 0.607 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -0.610 -1.627 0.574 0.00 0.00 +0.091 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -3.746 0.539 -1.495 0.00 0.00 +0.123 A ATOM 10 N LIG 1 -4.270 -0.087 -2.567 0.00 0.00 -0.240 NA ATOM 11 C LIG 1 -3.575 -1.119 -3.083 0.00 0.00 +0.115 A ATOM 12 C LIG 1 -2.370 -1.579 -2.577 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -1.820 -0.960 -1.458 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -2.531 0.132 -0.939 0.00 0.00 +0.066 A BRANCH 9 17 ATOM 15 C LIG 1 -5.762 2.836 0.044 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -5.823 1.920 -1.194 0.00 0.00 +0.112 C ATOM 17 N LIG 1 -4.435 1.643 -0.954 0.00 0.00 -0.314 N ATOM 18 C LIG 1 -4.539 1.982 0.435 0.00 0.00 +0.112 C BRANCH 15 19 ATOM 19 C LIG 1 -6.928 2.783 1.014 0.00 0.00 +0.084 C BRANCH 19 20 ATOM 20 N LIG 1 -8.085 3.507 0.499 0.00 0.00 -0.330 NA ATOM 21 H LIG 1 -8.394 3.099 -0.383 0.00 0.00 +0.118 HD ATOM 22 H LIG 1 -7.833 4.474 0.298 0.00 0.00 +0.118 HD ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 9 17 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 3.170 -1.733 0.889 0.00 0.00 +0.074 A ATOM 24 C LIG 1 3.951 -2.665 1.598 0.00 0.00 +0.160 A ATOM 25 N LIG 1 5.194 -2.367 2.013 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 5.726 -1.125 1.754 0.00 0.00 -0.147 NA ATOM 27 C LIG 1 5.012 -0.188 1.086 0.00 0.00 +0.099 A ATOM 28 C LIG 1 3.731 -0.479 0.633 0.00 0.00 +0.057 A BRANCH 27 29 ATOM 29 C LIG 1 5.697 1.098 0.847 0.00 0.00 +0.044 A ATOM 30 C LIG 1 5.054 2.349 0.908 0.00 0.00 +0.126 A ATOM 31 C LIG 1 5.745 3.542 0.665 0.00 0.00 +0.046 A ATOM 32 C LIG 1 7.104 3.511 0.362 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.771 2.292 0.306 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.076 1.104 0.548 0.00 0.00 +0.014 A BRANCH 30 35 ATOM 35 O LIG 1 3.723 2.420 1.233 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 3.479 3.354 1.348 0.00 0.00 +0.292 HD ENDBRANCH 30 35 ENDBRANCH 27 29 BRANCH 24 37 ATOM 37 N LIG 1 3.402 -3.945 1.872 0.00 0.00 -0.340 N ATOM 38 H LIG 1 2.529 -3.768 2.363 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 3.113 -4.317 0.970 0.00 0.00 +0.144 HD ENDBRANCH 24 37 ENDBRANCH 4 23 TORSDOF 8