REMARK Name = LIG001310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.208 0.086 0.172 0.00 0.00 -0.013 A ATOM 2 C LIG 1 3.577 -0.966 0.855 0.00 0.00 +0.035 A ATOM 3 C LIG 1 2.176 -1.032 0.830 0.00 0.00 +0.049 A ATOM 4 N LIG 1 1.327 -1.950 1.400 0.00 0.00 -0.339 N ATOM 5 H LIG 1 1.604 -2.755 1.941 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 0.029 -1.637 1.121 0.00 0.00 +0.145 A ATOM 7 C LIG 1 0.009 -0.478 0.363 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -1.261 0.007 -0.003 0.00 0.00 +0.132 A ATOM 9 N LIG 1 -2.344 -0.711 0.383 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -2.188 -1.843 1.109 0.00 0.00 +0.138 A ATOM 11 N LIG 1 -1.019 -2.361 1.534 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 1.380 -0.096 0.163 0.00 0.00 +0.012 A ATOM 13 C LIG 1 2.030 0.948 -0.527 0.00 0.00 +0.011 A ATOM 14 C LIG 1 3.431 1.029 -0.510 0.00 0.00 +0.009 A ENDROOT BRANCH 1 19 ATOM 15 C LIG 1 9.054 -1.004 0.189 0.00 0.00 +0.172 C ATOM 16 N LIG 1 7.795 -0.300 0.173 0.00 0.00 -0.274 N ATOM 17 N LIG 1 7.790 1.043 0.107 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 6.489 1.349 0.102 0.00 0.00 +0.142 A ATOM 19 C LIG 1 5.656 0.207 0.170 0.00 0.00 +0.020 A ATOM 20 C LIG 1 6.545 -0.848 0.213 0.00 0.00 +0.116 A ENDBRANCH 1 19 BRANCH 8 21 ATOM 21 N LIG 1 -1.429 1.186 -0.729 0.00 0.00 -0.326 N ATOM 22 H LIG 1 -0.654 1.821 -0.588 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.759 1.797 -0.755 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -2.836 2.742 -1.960 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -1.939 3.979 -1.843 0.00 0.00 +0.020 C ATOM 26 C LIG 1 -1.712 4.439 -0.396 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -2.885 4.053 0.501 0.00 0.00 +0.020 C ATOM 28 C LIG 1 -3.070 2.532 0.563 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 29 N LIG 1 -1.477 5.880 -0.344 0.00 0.00 -0.327 NA ATOM 30 H LIG 1 -2.306 6.381 -0.663 0.00 0.00 +0.118 HD ATOM 31 H LIG 1 -0.730 6.133 -0.990 0.00 0.00 +0.118 HD ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 10 32 ATOM 32 C LIG 1 -3.447 -2.590 1.481 0.00 0.00 +0.111 C BRANCH 32 33 ATOM 33 C LIG 1 -3.825 -3.669 0.492 0.00 0.00 -0.040 A ATOM 34 C LIG 1 -4.494 -3.339 -0.696 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.835 -4.332 -1.615 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.508 -5.662 -1.359 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.835 -6.000 -0.186 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.492 -5.009 0.734 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 6