REMARK Name = BDB018626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.857 1.740 -1.891 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.107 0.630 -2.305 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -0.823 0.809 -2.832 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -0.304 2.089 -2.999 0.00 0.00 +0.135 A ATOM 5 F LIG 1 0.918 2.272 -3.519 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.043 3.199 -2.606 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.314 3.026 -2.052 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.065 -0.375 -3.261 0.00 0.00 +0.250 C ATOM 9 N LIG 1 1.089 -0.741 -2.572 0.00 0.00 -0.288 N ATOM 10 C LIG 1 1.723 0.042 -1.503 0.00 0.00 +0.133 C ATOM 11 C LIG 1 2.244 -0.858 -0.369 0.00 0.00 +0.105 C ATOM 12 C LIG 1 1.082 -1.406 0.464 0.00 0.00 +0.032 C ATOM 13 N LIG 1 3.043 -1.932 -0.930 0.00 0.00 -0.304 N ATOM 14 C LIG 1 2.875 -2.386 -2.215 0.00 0.00 +0.152 A ATOM 15 N LIG 1 3.734 -3.354 -2.439 0.00 0.00 -0.132 NA ATOM 16 N LIG 1 4.469 -3.533 -1.295 0.00 0.00 -0.127 NA ATOM 17 C LIG 1 4.059 -2.672 -0.374 0.00 0.00 +0.183 A ATOM 18 C LIG 1 1.888 -1.815 -3.171 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -0.532 -1.027 -4.191 0.00 0.00 -0.270 OA BRANCH 17 20 ATOM 20 C LIG 1 4.615 -2.567 0.979 0.00 0.00 +0.108 A ATOM 21 N LIG 1 4.078 -1.630 1.799 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 4.590 -1.534 3.047 0.00 0.00 +0.111 A ATOM 23 C LIG 1 5.617 -2.329 3.526 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.156 -3.284 2.675 0.00 0.00 +0.004 A ATOM 25 C LIG 1 5.650 -3.406 1.384 0.00 0.00 +0.031 A ENDBRANCH 17 20 ENDBRANCH 3 8 BRANCH 1 26 ATOM 26 C LIG 1 -4.244 1.559 -1.314 0.00 0.00 +0.092 C BRANCH 26 36 ATOM 27 C LIG 1 -3.374 -0.080 1.037 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -3.892 1.306 1.278 0.00 0.00 -0.019 A ATOM 29 C LIG 1 -3.978 1.897 2.487 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -3.524 1.321 3.798 0.00 0.00 +0.050 C ATOM 31 C LIG 1 -4.571 3.261 2.603 0.00 0.00 +0.268 A ATOM 32 O LIG 1 -4.677 3.831 3.685 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -4.996 3.839 1.441 0.00 0.00 -0.243 N ATOM 34 H LIG 1 -5.403 4.766 1.508 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 -4.896 3.302 0.201 0.00 0.00 -0.175 NA ATOM 36 C LIG 1 -4.377 2.115 0.104 0.00 0.00 +0.069 A ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 4