REMARK Name = LIG001318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -0.896 1.173 1.010 0.00 0.00 -0.124 S ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.386 0.282 0.573 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -2.829 0.124 -0.751 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -4.017 -0.554 -1.043 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -4.779 -1.086 -0.004 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -4.355 -0.934 1.317 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.168 -0.251 1.605 0.00 0.00 +0.015 A BRANCH 3 8 ATOM 8 C LIG 1 -2.053 0.670 -1.868 0.00 0.00 +0.338 C ATOM 9 O LIG 1 -2.160 1.778 -2.353 0.00 0.00 -0.245 OA BRANCH 8 10 ATOM 10 O LIG 1 -1.130 -0.235 -2.233 0.00 0.00 -0.477 OA ATOM 11 H LIG 1 -0.399 0.300 -2.628 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 3 8 ENDBRANCH 1 2 BRANCH 1 12 ATOM 12 C LIG 1 0.340 -0.161 0.787 0.00 0.00 +0.087 C BRANCH 12 19 ATOM 13 O LIG 1 5.518 0.544 -1.051 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 4.423 0.582 -0.499 0.00 0.00 +0.219 C ATOM 15 N LIG 1 3.338 1.149 -1.116 0.00 0.00 -0.256 N ATOM 16 H LIG 1 3.516 1.410 -2.078 0.00 0.00 +0.157 HD ATOM 17 C LIG 1 2.030 0.818 -0.852 0.00 0.00 +0.223 C ATOM 18 O LIG 1 1.196 0.839 -1.754 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 1.746 0.422 0.595 0.00 0.00 +0.086 C ATOM 20 C LIG 1 2.813 -0.597 1.008 0.00 0.00 +0.023 C ATOM 21 C LIG 1 4.195 0.030 0.887 0.00 0.00 +0.097 C ENDBRANCH 12 19 ENDBRANCH 1 12 TORSDOF 5