REMARK Name = LIG001422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.297 0.445 -2.367 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -2.948 0.380 -2.063 0.00 0.00 -0.298 N ATOM 3 C LIG 1 -2.014 0.820 -3.096 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -0.600 1.042 -2.576 0.00 0.00 +0.032 C ATOM 5 C LIG 1 -0.044 -0.188 -1.835 0.00 0.00 +0.078 C ATOM 6 C LIG 1 -1.150 -0.973 -1.099 0.00 0.00 +0.032 C ATOM 7 C LIG 1 -2.366 -0.103 -0.806 0.00 0.00 +0.109 C ATOM 8 O LIG 1 -4.738 0.908 -3.417 0.00 0.00 -0.271 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 1.025 0.293 -0.841 0.00 0.00 +0.223 C ATOM 10 N LIG 1 2.343 0.440 -1.314 0.00 0.00 -0.274 N ATOM 11 C LIG 1 2.753 -0.041 -2.636 0.00 0.00 +0.138 C ATOM 12 O LIG 1 0.675 0.550 0.313 0.00 0.00 -0.275 OA BRANCH 10 13 ATOM 13 C LIG 1 3.390 0.914 -0.442 0.00 0.00 +0.037 A ATOM 14 C LIG 1 4.706 0.432 -0.565 0.00 0.00 +0.033 A ATOM 15 C LIG 1 5.734 0.906 0.266 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.453 1.863 1.244 0.00 0.00 +0.010 A ATOM 17 C LIG 1 4.156 2.351 1.379 0.00 0.00 +0.002 A ATOM 18 C LIG 1 3.138 1.881 0.542 0.00 0.00 +0.023 A BRANCH 15 19 ATOM 19 C LIG 1 7.123 0.372 0.167 0.00 0.00 +0.092 A ATOM 20 N LIG 1 7.811 0.198 1.260 0.00 0.00 -0.163 NA ATOM 21 N LIG 1 9.054 -0.328 1.043 0.00 0.00 -0.197 N ATOM 22 C LIG 1 9.623 -0.665 -0.168 0.00 0.00 +0.178 A ATOM 23 N LIG 1 10.826 -1.163 0.028 0.00 0.00 -0.128 NA ATOM 24 N LIG 1 11.065 -1.156 1.387 0.00 0.00 -0.132 NA ATOM 25 C LIG 1 8.864 -0.427 -1.332 0.00 0.00 +0.052 A ATOM 26 C LIG 1 10.000 -0.656 1.987 0.00 0.00 +0.152 A ATOM 27 C LIG 1 9.796 -0.459 3.438 0.00 0.00 +0.090 C ATOM 28 C LIG 1 7.631 0.086 -1.215 0.00 0.00 +0.034 A ENDBRANCH 15 19 ENDBRANCH 10 13 ENDBRANCH 5 9 BRANCH 1 30 ATOM 29 C LIG 1 -5.426 -1.388 -1.266 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -5.260 -0.062 -1.370 0.00 0.00 +0.071 C BRANCH 29 31 ATOM 31 C LIG 1 -6.421 -2.075 -0.406 0.00 0.00 +0.186 C ATOM 32 O LIG 1 -6.641 -3.272 -0.575 0.00 0.00 -0.287 OA BRANCH 31 36 ATOM 33 C LIG 1 -8.640 -0.020 2.620 0.00 0.00 +0.120 A ATOM 34 C LIG 1 -9.290 -0.822 1.680 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -8.553 -1.486 0.694 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -7.163 -1.337 0.637 0.00 0.00 +0.022 A ATOM 37 C LIG 1 -6.502 -0.563 1.595 0.00 0.00 +0.015 A ATOM 38 C LIG 1 -7.246 0.098 2.576 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 -10.655 0.563 3.745 0.00 0.00 +0.277 C ATOM 40 O LIG 1 -9.241 0.686 3.628 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 31 36 ENDBRANCH 29 31 ENDBRANCH 1 30 TORSDOF 7