REMARK Name = LIG001465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.121 -1.042 -0.122 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -0.735 -1.389 1.045 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -0.351 -2.268 1.807 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -1.879 -0.638 1.180 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.136 0.508 0.429 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.149 1.172 0.659 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.171 0.826 -0.556 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.095 0.012 -0.846 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.195 0.123 0.778 0.00 0.00 +0.115 C ATOM 10 C LIG 1 2.776 -0.431 0.913 0.00 0.00 +0.122 C ATOM 11 N LIG 1 2.545 -1.565 0.012 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.297 -1.906 -0.506 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.082 -2.847 -1.261 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 3.677 -2.433 -0.292 0.00 0.00 +0.108 C ATOM 15 C LIG 1 4.740 -2.379 0.798 0.00 0.00 +0.020 C ATOM 16 C LIG 1 5.260 -0.957 1.018 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 4.382 1.286 1.729 0.00 0.00 +0.312 C ATOM 18 O LIG 1 3.583 1.615 2.595 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 5.564 1.912 1.470 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 6.564 2.582 3.569 0.00 0.00 +0.048 C ATOM 21 C LIG 1 5.871 3.042 2.300 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -1.227 2.002 -1.397 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -0.332 2.141 -2.479 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -0.330 3.266 -3.329 0.00 0.00 -0.046 A ATOM 25 C LIG 1 0.648 3.323 -4.470 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -1.260 4.293 -3.107 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -1.314 5.514 -3.981 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -2.144 4.177 -2.030 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.126 3.053 -1.192 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -2.822 -1.022 2.219 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -3.827 -2.032 1.708 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -5.011 -1.606 1.090 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -5.934 -2.532 0.589 0.00 0.00 -0.050 A ATOM 34 C LIG 1 -7.177 -2.062 -0.107 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -5.650 -3.900 0.688 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -4.477 -4.347 1.307 0.00 0.00 -0.050 A ATOM 37 C LIG 1 -4.166 -5.813 1.375 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -3.566 -3.407 1.804 0.00 0.00 +0.008 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7