REMARK Name = LIG000296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.853 1.058 -0.771 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -1.478 1.417 -0.058 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 -5.012 -0.456 -1.027 0.00 0.00 -0.282 N ATOM 4 C LIG 1 -4.684 -1.566 -1.788 0.00 0.00 +0.248 C ATOM 5 O LIG 1 -5.425 -2.442 -2.189 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 -3.241 -1.496 -2.040 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.723 -0.390 -1.357 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.365 -0.091 -1.409 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -0.581 -0.915 -2.237 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.116 -2.028 -2.918 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -2.468 -2.335 -2.815 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.833 0.300 -0.630 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 -8.954 1.111 2.429 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -8.253 0.631 1.544 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -7.445 -0.450 1.790 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -7.423 -0.742 2.758 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -6.315 -0.773 1.072 0.00 0.00 +0.240 C ATOM 18 O LIG 1 -5.389 -1.373 1.612 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -6.317 -0.309 -0.394 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -6.837 1.124 -0.457 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -8.237 1.180 0.137 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 0.484 1.317 -0.366 0.00 0.00 +0.128 A ATOM 23 N LIG 1 1.404 0.339 -0.337 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 2.652 0.637 0.059 0.00 0.00 +0.221 A ATOM 25 N LIG 1 3.030 1.870 0.418 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 2.099 2.834 0.375 0.00 0.00 +0.118 A ATOM 27 C LIG 1 0.802 2.611 -0.009 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 N LIG 1 3.531 -0.442 0.070 0.00 0.00 -0.284 N ATOM 29 H LIG 1 3.030 -1.271 -0.213 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 4.881 -0.600 0.406 0.00 0.00 +0.034 A ATOM 31 C LIG 1 5.702 0.448 0.837 0.00 0.00 +0.028 A ATOM 32 C LIG 1 7.033 0.187 1.135 0.00 0.00 -0.023 A ATOM 33 C LIG 1 8.077 1.115 1.652 0.00 0.00 +0.055 C ATOM 34 C LIG 1 9.337 0.256 1.436 0.00 0.00 +0.106 C ATOM 35 N LIG 1 8.927 -1.161 1.429 0.00 0.00 -0.343 N ATOM 36 H LIG 1 9.469 -1.758 0.811 0.00 0.00 +0.146 HD ATOM 37 C LIG 1 7.576 -1.088 1.012 0.00 0.00 +0.031 A ATOM 38 C LIG 1 6.787 -2.147 0.621 0.00 0.00 +0.025 A ATOM 39 C LIG 1 5.445 -1.895 0.307 0.00 0.00 +0.025 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 5