REMARK Name = LIG001090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.083 4.132 0.827 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -4.498 2.812 1.070 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -3.527 1.801 1.096 0.00 0.00 +0.049 A ATOM 4 N LIG 1 -3.666 0.453 1.324 0.00 0.00 -0.339 N ATOM 5 H LIG 1 -4.532 -0.027 1.518 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -2.453 -0.168 1.265 0.00 0.00 +0.145 A ATOM 7 C LIG 1 -1.486 0.780 0.973 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -0.164 0.308 0.843 0.00 0.00 +0.132 A ATOM 9 N LIG 1 0.050 -1.009 1.072 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -0.983 -1.836 1.353 0.00 0.00 +0.138 A ATOM 11 N LIG 1 -2.277 -1.481 1.459 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -2.167 2.043 0.883 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -1.765 3.376 0.652 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -2.724 4.400 0.624 0.00 0.00 +0.012 A ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 -8.167 6.723 0.986 0.00 0.00 +0.199 C ATOM 16 N LIG 1 -6.791 6.337 0.839 0.00 0.00 -0.166 N ATOM 17 N LIG 1 -6.383 5.064 0.980 0.00 0.00 -0.131 NA ATOM 18 C LIG 1 -5.059 5.216 0.791 0.00 0.00 +0.205 A ATOM 19 N LIG 1 -4.711 6.529 0.555 0.00 0.00 -0.108 NA ATOM 20 N LIG 1 -5.830 7.238 0.594 0.00 0.00 -0.046 NA ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 N LIG 1 0.892 1.143 0.491 0.00 0.00 -0.326 N ATOM 22 H LIG 1 0.550 1.952 -0.015 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.140 0.614 -0.064 0.00 0.00 +0.072 C ATOM 24 C LIG 1 1.930 -0.195 -1.349 0.00 0.00 +0.024 C ATOM 25 C LIG 1 3.265 -0.661 -1.935 0.00 0.00 +0.020 C ATOM 26 C LIG 1 4.098 -1.441 -0.897 0.00 0.00 +0.056 C ATOM 27 C LIG 1 4.320 -0.588 0.369 0.00 0.00 +0.020 C ATOM 28 C LIG 1 2.990 -0.129 0.972 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 29 N LIG 1 5.323 -1.983 -1.521 0.00 0.00 -0.305 NA ATOM 30 C LIG 1 6.363 -0.993 -1.798 0.00 0.00 +0.104 C ATOM 31 C LIG 1 5.881 -3.096 -0.751 0.00 0.00 +0.104 C ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 10 32 ATOM 32 C LIG 1 -0.651 -3.295 1.563 0.00 0.00 +0.111 C BRANCH 32 33 ATOM 33 C LIG 1 -0.327 -4.030 0.282 0.00 0.00 -0.040 A ATOM 34 C LIG 1 -1.352 -4.533 -0.532 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -1.048 -5.186 -1.727 0.00 0.00 +0.000 A ATOM 36 C LIG 1 0.279 -5.337 -2.124 0.00 0.00 +0.000 A ATOM 37 C LIG 1 1.306 -4.834 -1.327 0.00 0.00 +0.000 A ATOM 38 C LIG 1 1.005 -4.185 -0.130 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 6