REMARK Name = LIG001363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.622 2.496 -0.422 0.00 0.00 -0.321 N ATOM 2 C LIG 1 -0.264 3.130 -1.427 0.00 0.00 +0.091 C ATOM 3 C LIG 1 -1.622 2.357 -1.488 0.00 0.00 +0.127 C ATOM 4 N LIG 1 -2.297 2.345 -0.155 0.00 0.00 -0.324 N ATOM 5 C LIG 1 -1.377 2.022 0.979 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -0.465 4.531 -0.818 0.00 0.00 +0.026 C ATOM 7 C LIG 1 -0.318 4.326 0.697 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -0.039 2.820 0.866 0.00 0.00 +0.091 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 2.396 -0.723 0.166 0.00 0.00 +0.120 A ATOM 10 N LIG 1 2.604 -1.173 -1.081 0.00 0.00 -0.240 NA ATOM 11 C LIG 1 2.175 -0.400 -2.096 0.00 0.00 +0.114 A ATOM 12 C LIG 1 1.518 0.810 -1.929 0.00 0.00 +0.043 A ATOM 13 C LIG 1 1.259 1.286 -0.644 0.00 0.00 +0.035 A ATOM 14 C LIG 1 1.750 0.495 0.404 0.00 0.00 +0.066 A BRANCH 9 15 ATOM 15 N LIG 1 2.862 -1.446 1.279 0.00 0.00 -0.329 N ATOM 16 H LIG 1 2.094 -1.566 1.931 0.00 0.00 +0.147 HD BRANCH 15 17 ATOM 17 C LIG 1 3.535 -2.712 0.994 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 4.998 -2.507 0.595 0.00 0.00 +0.020 C BRANCH 18 19 ATOM 19 C LIG 1 5.838 -1.915 1.732 0.00 0.00 +0.016 C BRANCH 19 20 ATOM 20 C LIG 1 7.294 -1.744 1.304 0.00 0.00 +0.078 C BRANCH 20 21 ATOM 21 N LIG 1 8.087 -1.209 2.406 0.00 0.00 -0.330 NA ATOM 22 H LIG 1 9.036 -1.030 2.080 0.00 0.00 +0.118 HD ATOM 23 H LIG 1 7.708 -0.306 2.687 0.00 0.00 +0.118 HD ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 13 BRANCH 4 24 ATOM 24 C LIG 1 -3.462 1.529 -0.130 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -4.707 2.102 0.190 0.00 0.00 +0.160 A ATOM 26 N LIG 1 -5.828 1.363 0.231 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 -5.773 0.013 -0.037 0.00 0.00 -0.147 NA ATOM 28 C LIG 1 -4.599 -0.591 -0.340 0.00 0.00 +0.099 A ATOM 29 C LIG 1 -3.430 0.158 -0.401 0.00 0.00 +0.057 A BRANCH 28 30 ATOM 30 C LIG 1 -4.671 -2.036 -0.636 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -3.669 -2.961 -0.284 0.00 0.00 +0.126 A ATOM 32 C LIG 1 -3.780 -4.321 -0.599 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -4.905 -4.791 -1.271 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.918 -3.907 -1.623 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.801 -2.551 -1.307 0.00 0.00 +0.014 A BRANCH 31 36 ATOM 36 O LIG 1 -2.559 -2.541 0.404 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 -2.006 -3.314 0.610 0.00 0.00 +0.292 HD ENDBRANCH 31 36 ENDBRANCH 28 30 BRANCH 25 38 ATOM 38 N LIG 1 -4.766 3.493 0.468 0.00 0.00 -0.340 N ATOM 39 H LIG 1 -4.349 3.950 -0.340 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -4.100 3.652 1.220 0.00 0.00 +0.144 HD ENDBRANCH 25 38 ENDBRANCH 4 24 TORSDOF 11