REMARK Name = LIG000650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.584 -0.043 0.223 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.137 -0.890 -0.660 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.002 -2.171 -0.286 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -2.382 -2.646 0.855 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -2.398 -4.026 0.886 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -3.040 -4.378 -0.208 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.861 -1.684 1.736 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.429 -3.290 -0.948 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.990 -0.379 1.384 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.156 -3.313 -2.209 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -3.347 -3.995 -3.312 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.536 -3.953 -2.053 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -2.593 1.292 -0.173 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.950 1.282 -1.123 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -1.294 1.968 -0.038 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -1.919 3.915 -1.628 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -1.507 3.486 -0.225 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -0.242 1.383 -1.012 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 0.970 2.133 -1.025 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 1.436 1.930 -0.192 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 -1.213 -2.057 2.906 0.00 0.00 -0.323 N ATOM 22 H LIG 1 -0.891 -3.018 2.897 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.440 -1.084 3.650 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 0.747 -0.515 2.904 0.00 0.00 -0.030 A ATOM 25 C LIG 1 1.119 0.815 3.125 0.00 0.00 +0.007 A ATOM 26 C LIG 1 2.195 1.387 2.435 0.00 0.00 +0.023 A ATOM 27 C LIG 1 2.937 0.662 1.492 0.00 0.00 +0.030 A ATOM 28 C LIG 1 2.585 -0.686 1.323 0.00 0.00 +0.023 A ATOM 29 C LIG 1 1.519 -1.272 2.020 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 N LIG 1 3.954 1.243 0.754 0.00 0.00 -0.327 N ATOM 31 C LIG 1 4.546 2.540 1.124 0.00 0.00 +0.120 C ATOM 32 C LIG 1 5.938 2.705 0.474 0.00 0.00 +0.100 C ATOM 33 N LIG 1 5.967 2.614 -0.999 0.00 0.00 -0.313 NA ATOM 34 H LIG 1 6.820 2.128 -1.271 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 4.799 1.875 -1.512 0.00 0.00 +0.100 C ATOM 36 C LIG 1 4.277 0.743 -0.597 0.00 0.00 +0.120 C ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10