REMARK Name = LIG000784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.186 0.002 2.411 0.00 0.00 -0.033 A ATOM 2 C LIG 1 2.054 -1.387 2.551 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.793 -1.987 2.563 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.366 -1.211 2.431 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -0.237 0.180 2.321 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.025 0.780 2.309 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.552 0.656 2.416 0.00 0.00 +0.119 C BRANCH 7 11 ATOM 8 N LIG 1 6.422 1.201 -0.555 0.00 0.00 -0.312 N ATOM 9 C LIG 1 4.958 1.436 -0.603 0.00 0.00 +0.122 C ATOM 10 C LIG 1 4.156 0.293 0.057 0.00 0.00 +0.103 C ATOM 11 N LIG 1 4.502 0.037 1.479 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 5.880 0.491 1.778 0.00 0.00 +0.103 C ATOM 13 C LIG 1 6.845 0.339 0.581 0.00 0.00 +0.122 C BRANCH 8 15 ATOM 14 C LIG 1 8.281 0.959 -2.131 0.00 0.00 +0.092 A ATOM 15 C LIG 1 6.951 0.701 -1.766 0.00 0.00 +0.139 A ATOM 16 N LIG 1 6.144 -0.042 -2.565 0.00 0.00 -0.239 NA ATOM 17 C LIG 1 6.648 -0.541 -3.716 0.00 0.00 +0.113 A ATOM 18 C LIG 1 7.947 -0.337 -4.137 0.00 0.00 +0.021 A ATOM 19 C LIG 1 8.777 0.429 -3.329 0.00 0.00 +0.024 A BRANCH 14 21 ATOM 20 N LIG 1 9.884 2.406 -0.697 0.00 0.00 -0.191 NA ATOM 21 C LIG 1 9.143 1.771 -1.326 0.00 0.00 +0.103 C ENDBRANCH 14 21 ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -1.724 -1.876 2.467 0.00 0.00 +0.264 C BRANCH 22 23 ATOM 23 O LIG 1 -2.718 -1.180 1.708 0.00 0.00 -0.487 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.823 -1.456 0.376 0.00 0.00 +0.126 A ATOM 25 C LIG 1 -3.955 -0.968 -0.254 0.00 0.00 +0.024 A ATOM 26 C LIG 1 -5.101 -0.203 0.318 0.00 0.00 +0.148 C ATOM 27 N LIG 1 -5.921 0.071 -0.856 0.00 0.00 -0.281 N ATOM 28 C LIG 1 -5.436 -0.564 -1.990 0.00 0.00 +0.248 C ATOM 29 O LIG 1 -5.941 -0.614 -3.094 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -4.161 -1.186 -1.615 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -3.269 -1.882 -2.405 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -2.119 -2.367 -1.785 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -1.895 -2.153 -0.408 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 34 C LIG 1 -7.284 0.583 -0.782 0.00 0.00 +0.163 C ATOM 35 C LIG 1 -8.257 -0.438 -0.168 0.00 0.00 +0.240 C ATOM 36 O LIG 1 -7.996 -1.623 0.023 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 -9.492 0.064 0.177 0.00 0.00 -0.255 N ATOM 38 H LIG 1 -10.121 -0.610 0.594 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 -9.774 1.372 0.475 0.00 0.00 +0.219 C ATOM 40 O LIG 1 -10.778 1.675 1.113 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 -8.802 2.408 -0.041 0.00 0.00 +0.098 C ATOM 42 C LIG 1 -7.373 1.889 0.003 0.00 0.00 +0.041 C ENDBRANCH 27 34 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8