REMARK Name = LIG000386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.094 1.474 -1.034 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -3.664 0.353 -1.924 0.00 0.00 +0.127 C ATOM 3 C LIG 1 -2.107 0.282 -2.023 0.00 0.00 +0.091 C ATOM 4 N LIG 1 -1.576 0.060 -0.649 0.00 0.00 -0.321 N ATOM 5 C LIG 1 -1.797 1.375 0.004 0.00 0.00 +0.091 C ATOM 6 C LIG 1 -1.322 2.382 -1.059 0.00 0.00 +0.026 C ATOM 7 C LIG 1 -1.513 1.654 -2.399 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -3.336 1.517 0.254 0.00 0.00 +0.127 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -6.250 2.590 -1.317 0.00 0.00 +0.160 A ATOM 10 C LIG 1 -5.501 1.500 -0.835 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -6.192 0.479 -0.177 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -7.569 0.569 -0.008 0.00 0.00 +0.099 A ATOM 13 N LIG 1 -8.244 1.634 -0.502 0.00 0.00 -0.147 NA ATOM 14 N LIG 1 -7.583 2.649 -1.157 0.00 0.00 -0.132 NA BRANCH 12 15 ATOM 15 C LIG 1 -8.387 -0.469 0.650 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -7.972 -1.187 1.788 0.00 0.00 +0.126 A ATOM 17 C LIG 1 -8.777 -2.176 2.368 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -10.028 -2.461 1.826 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -10.476 -1.757 0.714 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -9.665 -0.775 0.137 0.00 0.00 +0.014 A BRANCH 16 21 ATOM 21 O LIG 1 -6.760 -0.911 2.369 0.00 0.00 -0.506 OA ATOM 22 H LIG 1 -6.704 -1.384 3.216 0.00 0.00 +0.292 HD ENDBRANCH 16 21 ENDBRANCH 12 15 BRANCH 9 23 ATOM 23 N LIG 1 -5.571 3.642 -1.984 0.00 0.00 -0.340 N ATOM 24 H LIG 1 -5.043 3.196 -2.732 0.00 0.00 +0.144 HD ATOM 25 H LIG 1 -4.859 3.964 -1.331 0.00 0.00 +0.144 HD ENDBRANCH 9 23 ENDBRANCH 1 10 BRANCH 4 26 ATOM 26 C LIG 1 -0.376 -0.637 -0.543 0.00 0.00 +0.034 A ATOM 27 C LIG 1 0.750 -0.155 0.128 0.00 0.00 +0.060 A ATOM 28 C LIG 1 1.894 -0.943 0.198 0.00 0.00 +0.115 A ATOM 29 N LIG 1 1.999 -2.177 -0.333 0.00 0.00 -0.247 NA ATOM 30 C LIG 1 0.904 -2.643 -0.960 0.00 0.00 +0.114 A ATOM 31 C LIG 1 -0.277 -1.926 -1.083 0.00 0.00 +0.043 A BRANCH 28 32 ATOM 32 C LIG 1 3.068 -0.476 0.868 0.00 0.00 -0.046 C ATOM 33 C LIG 1 4.053 -0.084 1.434 0.00 0.00 -0.094 C BRANCH 33 34 ATOM 34 C LIG 1 5.259 0.381 2.135 0.00 0.00 +0.104 C BRANCH 34 35 ATOM 35 C LIG 1 6.469 -0.545 1.913 0.00 0.00 +0.097 C BRANCH 35 36 ATOM 36 N LIG 1 6.949 -0.668 0.524 0.00 0.00 -0.301 NA ATOM 37 C LIG 1 7.444 0.572 -0.068 0.00 0.00 +0.084 C ATOM 38 C LIG 1 8.802 1.080 0.422 0.00 0.00 +0.015 C ATOM 39 C LIG 1 9.969 0.100 0.294 0.00 0.00 +0.001 C ATOM 40 C LIG 1 9.872 -0.848 -0.900 0.00 0.00 +0.001 C ATOM 41 C LIG 1 8.729 -1.876 -0.855 0.00 0.00 +0.015 C ATOM 42 C LIG 1 7.830 -1.837 0.387 0.00 0.00 +0.084 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 28 32 ENDBRANCH 4 26 TORSDOF 9