REMARK Name = LIG000447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.080 -3.784 -1.442 0.00 0.00 +0.060 A ATOM 2 C LIG 1 -2.408 -2.637 -0.984 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.121 -2.329 -1.480 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.548 -3.204 -2.409 0.00 0.00 +0.049 A ATOM 5 N LIG 1 0.699 -2.710 -2.711 0.00 0.00 -0.339 N ATOM 6 H LIG 1 1.363 -3.129 -3.343 0.00 0.00 +0.167 HD ATOM 7 C LIG 1 0.938 -1.561 -2.016 0.00 0.00 +0.145 A ATOM 8 N LIG 1 2.077 -0.863 -2.098 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 2.061 0.222 -1.300 0.00 0.00 +0.138 A ATOM 10 N LIG 1 1.033 0.621 -0.517 0.00 0.00 -0.216 NA ATOM 11 C LIG 1 -0.114 -0.098 -0.469 0.00 0.00 +0.132 A ATOM 12 C LIG 1 -1.195 -4.352 -2.879 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -0.176 -1.272 -1.246 0.00 0.00 +0.066 A ATOM 14 C LIG 1 -2.472 -4.625 -2.381 0.00 0.00 +0.017 A ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 -4.439 -4.152 -0.954 0.00 0.00 +0.339 C ATOM 16 O LIG 1 -5.031 -5.160 -1.304 0.00 0.00 -0.245 OA BRANCH 15 18 ATOM 17 C LIG 1 -6.210 -3.505 0.423 0.00 0.00 +0.280 C ATOM 18 O LIG 1 -4.908 -3.217 -0.089 0.00 0.00 -0.464 OA ENDBRANCH 15 18 ENDBRANCH 1 15 BRANCH 11 19 ATOM 19 N LIG 1 -1.183 0.330 0.311 0.00 0.00 -0.326 N ATOM 20 H LIG 1 -2.069 0.049 -0.092 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -1.209 1.654 0.932 0.00 0.00 +0.072 C ATOM 22 C LIG 1 -1.182 2.800 -0.091 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -0.426 4.030 0.420 0.00 0.00 +0.020 C ATOM 24 C LIG 1 -0.678 4.324 1.903 0.00 0.00 +0.051 C ATOM 25 C LIG 1 -0.322 3.126 2.802 0.00 0.00 +0.020 C ATOM 26 C LIG 1 -0.173 1.800 2.051 0.00 0.00 +0.024 C BRANCH 24 27 ATOM 27 N LIG 1 -2.072 4.730 2.102 0.00 0.00 -0.327 NA ATOM 28 H LIG 1 -2.705 3.947 1.951 0.00 0.00 +0.118 HD ATOM 29 H LIG 1 -2.207 5.014 3.072 0.00 0.00 +0.118 HD ENDBRANCH 24 27 ENDBRANCH 19 21 ENDBRANCH 11 19 BRANCH 9 30 ATOM 30 C LIG 1 3.302 1.083 -1.284 0.00 0.00 +0.111 C BRANCH 30 31 ATOM 31 C LIG 1 4.300 0.686 -0.220 0.00 0.00 -0.040 A ATOM 32 C LIG 1 4.209 1.220 1.074 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.122 0.843 2.060 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.130 -0.074 1.764 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.223 -0.618 0.485 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.310 -0.244 -0.503 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 9 30 TORSDOF 7