REMARK Name = LIG000934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.467 -0.814 0.149 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -2.932 -2.095 0.059 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.519 -3.156 -0.015 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.472 -1.954 0.084 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.171 -0.616 0.304 0.00 0.00 -0.016 A ATOM 6 C LIG 1 0.149 -0.200 0.379 0.00 0.00 +0.029 A ATOM 7 C LIG 1 1.173 -1.152 0.226 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.839 -2.503 0.003 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -0.497 -2.917 -0.067 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.430 0.168 0.461 0.00 0.00 +0.144 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.957 2.965 -0.620 0.00 0.00 +0.141 C ATOM 12 N LIG 1 -5.723 1.532 -0.667 0.00 0.00 -0.244 N ATOM 13 C LIG 1 -5.213 0.936 0.488 0.00 0.00 +0.242 C ATOM 14 O LIG 1 -4.899 1.592 1.486 0.00 0.00 -0.273 OA ATOM 15 C LIG 1 -4.891 -0.566 0.411 0.00 0.00 +0.164 C ATOM 16 C LIG 1 -5.832 -1.208 -0.606 0.00 0.00 +0.041 C ATOM 17 C LIG 1 -5.616 -0.575 -1.964 0.00 0.00 +0.099 C ATOM 18 C LIG 1 -5.819 0.921 -1.916 0.00 0.00 +0.222 C ATOM 19 O LIG 1 -6.007 1.550 -2.958 0.00 0.00 -0.275 OA ENDBRANCH 1 15 BRANCH 7 20 ATOM 20 N LIG 1 2.499 -0.673 0.305 0.00 0.00 -0.280 N ATOM 21 H LIG 1 2.598 0.317 0.471 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 3.676 -1.407 0.240 0.00 0.00 +0.268 C ATOM 23 O LIG 1 3.737 -2.628 0.136 0.00 0.00 -0.268 OA BRANCH 22 24 ATOM 24 C LIG 1 4.902 -0.587 0.322 0.00 0.00 +0.144 A ATOM 25 N LIG 1 6.153 -1.151 0.531 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 7.012 -0.157 0.538 0.00 0.00 +0.138 A ATOM 27 N LIG 1 6.375 1.058 0.335 0.00 0.00 -0.306 N ATOM 28 C LIG 1 7.042 2.281 0.291 0.00 0.00 +0.093 A ATOM 29 C LIG 1 8.377 2.303 0.453 0.00 0.00 +0.018 A ATOM 30 C LIG 1 9.080 1.047 0.669 0.00 0.00 +0.005 A ATOM 31 C LIG 1 8.425 -0.130 0.709 0.00 0.00 +0.047 A ATOM 32 C LIG 1 5.034 0.789 0.198 0.00 0.00 +0.125 A ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 3