REMARK Name = LIG000308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.550 -4.385 -1.794 0.00 0.00 -0.315 N ATOM 2 C LIG 1 0.390 -3.211 -1.114 0.00 0.00 +0.167 A ATOM 3 C LIG 1 1.599 -2.559 -1.246 0.00 0.00 +0.148 A ATOM 4 C LIG 1 1.705 -1.310 -0.621 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.619 -0.850 0.052 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -0.525 -1.574 0.116 0.00 0.00 +0.222 A ATOM 7 N LIG 1 2.491 -3.311 -1.985 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -0.693 -2.782 -0.456 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 1.822 -4.401 -2.302 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -1.578 -1.050 0.834 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -1.569 0.359 1.226 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.944 1.023 1.007 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -4.063 0.275 1.598 0.00 0.00 -0.293 N ATOM 14 C LIG 1 -5.284 0.829 1.990 0.00 0.00 +0.265 C ATOM 15 O LIG 1 -6.091 0.184 2.665 0.00 0.00 -0.268 OA ATOM 16 C LIG 1 -3.823 -1.145 1.867 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -2.845 -1.780 0.866 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -5.658 2.233 1.600 0.00 0.00 +0.126 A ATOM 19 N LIG 1 -5.075 2.780 0.500 0.00 0.00 -0.250 NA ATOM 20 C LIG 1 -5.468 4.026 0.155 0.00 0.00 +0.111 A ATOM 21 C LIG 1 -6.416 4.758 0.851 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -7.006 4.180 1.969 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.627 2.895 2.350 0.00 0.00 +0.033 A ENDBRANCH 14 18 ENDBRANCH 6 10 BRANCH 1 25 ATOM 24 C LIG 1 -0.486 -6.380 -0.787 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -0.449 -5.416 -1.961 0.00 0.00 +0.121 C ENDBRANCH 1 25 BRANCH 4 26 ATOM 26 N LIG 1 2.883 -0.548 -0.701 0.00 0.00 -0.320 N ATOM 27 H LIG 1 3.637 -1.174 -0.988 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 3.186 0.175 0.531 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 C LIG 1 4.389 1.057 0.398 0.00 0.00 +0.125 A ATOM 30 N LIG 1 4.604 1.793 -0.743 0.00 0.00 -0.341 N ATOM 31 H LIG 1 4.001 1.776 -1.555 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 5.766 2.501 -0.585 0.00 0.00 +0.068 A ATOM 33 C LIG 1 6.213 2.147 0.683 0.00 0.00 +0.091 A ATOM 34 C LIG 1 7.403 2.700 1.174 0.00 0.00 +0.051 A ATOM 35 C LIG 1 8.110 3.600 0.363 0.00 0.00 +0.061 A ATOM 36 C LIG 1 7.638 3.941 -0.914 0.00 0.00 +0.061 A ATOM 37 CL LIG 1 8.484 5.048 -1.941 0.00 0.00 -0.082 Cl ATOM 38 CL LIG 1 9.574 4.260 1.008 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 6.448 3.392 -1.417 0.00 0.00 +0.049 A ATOM 40 N LIG 1 5.353 1.256 1.275 0.00 0.00 -0.231 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 6