REMARK Name = LIG001197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.779 -1.008 0.067 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.485 -0.019 0.641 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.718 1.026 0.979 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.357 1.161 0.777 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.903 2.370 1.262 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.977 2.961 1.743 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.704 0.085 0.152 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.099 2.187 1.596 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.456 -0.996 -0.188 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.450 2.526 2.021 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.535 2.712 3.536 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.981 3.752 1.278 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.424 -2.166 -0.341 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.794 -2.641 -0.980 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.813 -2.038 -0.779 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.885 -3.504 -1.192 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.398 -3.463 -0.873 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.915 -1.278 -2.123 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -6.192 -0.661 -2.276 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -6.251 0.032 -1.595 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.667 0.123 -0.123 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.110 0.863 0.417 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.330 -1.165 -0.048 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.821 -0.959 -0.184 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.659 -1.010 0.937 0.00 0.00 +0.006 A ATOM 26 C LIG 1 5.036 -0.806 0.803 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.610 -0.533 -0.449 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.764 -0.489 -1.568 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.386 -0.691 -1.438 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.056 -0.311 -0.599 0.00 0.00 +0.074 A ATOM 31 C LIG 1 7.742 0.768 -0.020 0.00 0.00 -0.024 A ATOM 32 C LIG 1 7.053 1.816 0.805 0.00 0.00 +0.046 C ATOM 33 C LIG 1 9.127 0.844 -0.216 0.00 0.00 +0.007 A ATOM 34 C LIG 1 9.775 -0.114 -0.987 0.00 0.00 +0.020 A ATOM 35 C LIG 1 9.015 -1.127 -1.539 0.00 0.00 +0.111 A ATOM 36 N LIG 1 7.682 -1.244 -1.365 0.00 0.00 -0.255 NA ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10