REMARK Name = LIG001530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.831 -4.755 -0.829 0.00 0.00 +0.052 C ATOM 2 C LIG 1 1.178 -3.513 -0.314 0.00 0.00 -0.008 A ATOM 3 C LIG 1 1.535 -2.191 -0.540 0.00 0.00 -0.029 A ATOM 4 C LIG 1 2.678 -1.788 -1.425 0.00 0.00 +0.045 C ATOM 5 C LIG 1 0.661 -1.268 0.180 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.848 0.186 0.284 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -0.099 1.046 0.169 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 -1.510 0.716 -0.035 0.00 0.00 +0.184 C ATOM 9 C LIG 1 -2.046 -0.174 1.038 0.00 0.00 +0.164 A ATOM 10 N LIG 1 -1.524 -1.417 1.358 0.00 0.00 -0.275 N ATOM 11 C LIG 1 -2.419 -1.916 2.301 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -2.312 -3.200 3.032 0.00 0.00 +0.088 C ATOM 13 N LIG 1 -3.366 -1.028 2.527 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -3.132 0.059 1.743 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -0.380 -1.965 0.769 0.00 0.00 +0.097 A ATOM 16 S LIG 1 -0.212 -3.641 0.659 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 2.220 0.704 0.572 0.00 0.00 +0.001 A ATOM 18 C LIG 1 3.072 0.043 1.462 0.00 0.00 +0.012 A ATOM 19 C LIG 1 4.346 0.559 1.723 0.00 0.00 +0.024 A ATOM 20 C LIG 1 4.782 1.740 1.108 0.00 0.00 +0.033 A ATOM 21 C LIG 1 3.918 2.406 0.237 0.00 0.00 +0.024 A ATOM 22 C LIG 1 2.640 1.896 -0.025 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 N LIG 1 6.078 2.187 1.427 0.00 0.00 -0.285 N ATOM 24 H LIG 1 6.605 1.618 2.084 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 6.760 3.273 0.910 0.00 0.00 +0.232 C ATOM 26 O LIG 1 6.331 4.047 0.056 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 8.130 3.521 1.525 0.00 0.00 +0.204 C ATOM 28 CL LIG 1 8.815 2.064 2.286 0.00 0.00 -0.116 Cl ENDBRANCH 25 27 ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 8 29 ATOM 29 C LIG 1 -1.774 0.235 -1.458 0.00 0.00 +0.155 C BRANCH 29 30 ATOM 30 C LIG 1 -3.240 0.001 -1.700 0.00 0.00 +0.310 C ATOM 31 O LIG 1 -3.705 -1.103 -1.947 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.927 1.168 -1.632 0.00 0.00 -0.459 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.372 1.187 -1.762 0.00 0.00 +0.105 C ATOM 34 C LIG 1 -6.042 0.378 -0.646 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -5.759 2.664 -1.598 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -5.811 0.717 -3.154 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 7