REMARK Name = LIG001399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.098 -1.606 -2.618 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 1.661 -2.006 -1.274 0.00 0.00 +0.086 C ATOM 3 C LIG 1 0.678 -1.031 -0.617 0.00 0.00 +0.030 C ATOM 4 C LIG 1 -0.520 -0.712 -1.530 0.00 0.00 +0.036 C ATOM 5 C LIG 1 -1.417 0.300 -0.883 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.250 1.680 -0.736 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -2.210 2.406 -0.024 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.287 1.711 0.514 0.00 0.00 +0.045 A ATOM 9 C LIG 1 -4.415 2.217 1.303 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -4.532 3.367 1.678 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -5.272 1.144 1.526 0.00 0.00 -0.281 N ATOM 12 C LIG 1 -4.670 -0.118 1.093 0.00 0.00 +0.148 C ATOM 13 C LIG 1 -3.452 0.337 0.378 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -2.513 -0.358 -0.330 0.00 0.00 +0.130 A ATOM 15 O LIG 1 -2.522 -1.706 -0.543 0.00 0.00 -0.490 OA ATOM 16 C LIG 1 -1.533 -1.886 -1.587 0.00 0.00 +0.240 C ATOM 17 C LIG 1 -0.031 -0.313 -2.929 0.00 0.00 +0.030 C ATOM 18 C LIG 1 0.950 -1.342 -3.494 0.00 0.00 +0.086 C ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 -6.398 1.214 2.464 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -7.116 -0.134 2.630 0.00 0.00 +0.240 C ATOM 21 O LIG 1 -6.642 -1.065 3.280 0.00 0.00 -0.273 OA ATOM 22 N LIG 1 -8.258 -0.323 1.888 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -8.668 -1.246 1.938 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -8.773 0.503 0.922 0.00 0.00 +0.219 C ATOM 25 O LIG 1 -9.665 0.115 0.173 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 -8.147 1.869 0.791 0.00 0.00 +0.098 C ATOM 27 C LIG 1 -7.438 2.272 2.075 0.00 0.00 +0.041 C ENDBRANCH 11 19 BRANCH 1 28 ATOM 28 C LIG 1 3.056 -0.487 -2.614 0.00 0.00 +0.119 C BRANCH 28 31 ATOM 29 C LIG 1 6.128 -0.460 -0.322 0.00 0.00 -0.015 A ATOM 30 C LIG 1 4.889 -0.138 -0.895 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.395 -0.848 -2.003 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.165 -1.887 -2.540 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.399 -2.215 -1.981 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.878 -1.505 -0.878 0.00 0.00 +0.008 A BRANCH 29 39 ATOM 35 C LIG 1 8.420 0.768 3.910 0.00 0.00 +0.172 C ATOM 36 N LIG 1 7.636 0.809 2.700 0.00 0.00 -0.274 N ATOM 37 N LIG 1 7.013 1.950 2.354 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 6.394 1.631 1.214 0.00 0.00 +0.142 A ATOM 39 C LIG 1 6.618 0.290 0.822 0.00 0.00 +0.020 A ATOM 40 C LIG 1 7.431 -0.212 1.819 0.00 0.00 +0.116 A ENDBRANCH 29 39 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 4