REMARK Name = BDB049513 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.513 -1.121 0.435 0.00 0.00 +0.051 C ATOM 2 C LIG 1 -2.021 -2.046 -0.698 0.00 0.00 +0.079 C ATOM 3 C LIG 1 -3.546 -1.759 -0.721 0.00 0.00 +0.104 C ATOM 4 N LIG 1 -3.748 -0.534 0.060 0.00 0.00 -0.293 NA ATOM 5 C LIG 1 -2.441 0.091 0.271 0.00 0.00 +0.094 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -4.851 0.307 -0.384 0.00 0.00 +0.090 C ATOM 7 C LIG 1 -5.167 1.500 0.480 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -5.583 2.583 -0.309 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -5.980 3.783 0.263 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.957 3.897 1.655 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -5.562 2.812 2.450 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.596 2.216 -1.760 0.00 0.00 +0.037 C ATOM 13 C LIG 1 -5.180 1.610 1.859 0.00 0.00 +0.128 A ATOM 14 F LIG 1 -4.839 0.577 2.640 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -4.682 0.984 -1.768 0.00 0.00 +0.028 C ENDBRANCH 4 6 BRANCH 1 19 ATOM 16 C LIG 1 2.745 -0.083 0.424 0.00 0.00 +0.030 A ATOM 17 C LIG 1 2.112 -0.661 1.535 0.00 0.00 +0.023 A ATOM 18 C LIG 1 0.750 -0.995 1.530 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -0.043 -0.763 0.403 0.00 0.00 -0.041 A ATOM 20 C LIG 1 0.570 -0.190 -0.714 0.00 0.00 +0.006 A ATOM 21 C LIG 1 1.935 0.138 -0.699 0.00 0.00 +0.023 A BRANCH 16 27 ATOM 22 C LIG 1 9.209 0.674 -0.384 0.00 0.00 +0.109 C ATOM 23 C LIG 1 8.279 1.246 0.657 0.00 0.00 +0.213 C ATOM 24 N LIG 1 6.931 0.979 0.506 0.00 0.00 -0.299 N ATOM 25 C LIG 1 5.989 1.454 1.523 0.00 0.00 +0.126 C ATOM 26 C LIG 1 4.787 0.512 1.712 0.00 0.00 +0.124 C ATOM 27 N LIG 1 4.094 0.238 0.439 0.00 0.00 -0.327 N ATOM 28 C LIG 1 4.841 0.481 -0.803 0.00 0.00 +0.124 C ATOM 29 C LIG 1 6.350 0.229 -0.612 0.00 0.00 +0.126 C ATOM 30 O LIG 1 8.724 1.921 1.584 0.00 0.00 -0.276 OA ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 2 31 ATOM 31 N LIG 1 -1.580 -3.456 -0.674 0.00 0.00 -0.304 NA ATOM 32 C LIG 1 -2.080 -4.198 -1.831 0.00 0.00 +0.104 C ATOM 33 C LIG 1 -1.899 -4.164 0.563 0.00 0.00 +0.104 C ENDBRANCH 2 31 TORSDOF 4