REMARK Name = LIG000902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.028 -1.815 -0.502 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -3.023 -2.696 -0.017 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.083 -4.004 -0.531 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -2.181 -4.434 -1.504 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -1.202 -3.563 -1.972 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.123 -2.260 -1.473 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -3.994 -2.284 1.009 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -5.030 -1.399 0.736 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -5.380 -0.706 -0.539 0.00 0.00 +0.145 C ATOM 10 N LIG 1 -6.594 0.022 -0.192 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -6.883 -0.069 1.157 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -7.734 0.525 1.788 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -5.924 -1.016 1.736 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.846 -1.484 3.034 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.821 -2.380 3.326 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.908 -2.774 2.327 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 -7.201 0.956 -1.132 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.780 2.389 -0.807 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -5.609 2.764 -0.888 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -7.758 3.244 -0.370 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -7.463 4.188 -0.162 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -9.090 2.990 -0.171 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -9.851 3.892 0.176 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -9.570 1.578 -0.380 0.00 0.00 +0.098 C ATOM 25 C LIG 1 -8.703 0.795 -1.349 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 -2.023 -0.559 0.052 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -1.164 0.432 -0.482 0.00 0.00 +0.326 C BRANCH 27 30 ATOM 28 N LIG 1 1.069 1.381 -0.612 0.00 0.00 -0.204 N ATOM 29 H LIG 1 0.708 1.817 -1.456 0.00 0.00 +0.177 HD ATOM 30 C LIG 1 0.295 0.383 -0.010 0.00 0.00 +0.270 C ATOM 31 O LIG 1 0.718 -0.442 0.796 0.00 0.00 -0.270 OA BRANCH 28 33 ATOM 32 C LIG 1 2.989 1.177 0.622 0.00 0.00 +0.147 C ATOM 33 N LIG 1 2.438 1.448 -0.522 0.00 0.00 -0.187 NA BRANCH 32 36 ATOM 34 C LIG 1 6.860 1.240 0.600 0.00 0.00 +0.161 A ATOM 35 S LIG 1 5.512 1.432 -0.479 0.00 0.00 -0.051 S ATOM 36 C LIG 1 4.417 1.170 0.801 0.00 0.00 +0.053 A ATOM 37 C LIG 1 5.122 0.961 1.963 0.00 0.00 +0.130 A ATOM 38 N LIG 1 6.496 1.009 1.845 0.00 0.00 -0.232 NA BRANCH 34 43 ATOM 39 C LIG 1 11.249 -0.450 -0.688 0.00 0.00 +0.105 C ATOM 40 N LIG 1 11.023 0.987 -0.542 0.00 0.00 -0.302 NA ATOM 41 C LIG 1 9.999 1.477 -1.487 0.00 0.00 +0.103 C ATOM 42 C LIG 1 8.543 1.052 -1.181 0.00 0.00 +0.122 C ATOM 43 N LIG 1 8.172 1.347 0.214 0.00 0.00 -0.307 N ATOM 44 C LIG 1 9.165 0.912 1.217 0.00 0.00 +0.122 C ATOM 45 C LIG 1 10.598 1.339 0.830 0.00 0.00 +0.103 C ENDBRANCH 34 43 ENDBRANCH 32 36 ENDBRANCH 28 33 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8