REMARK Name = BDB006710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.907 -0.318 0.041 0.00 0.00 -0.222 N ATOM 2 C LIG 1 1.540 -0.341 0.054 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.461 -0.856 0.826 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -0.721 -0.492 0.106 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -0.382 0.257 -1.149 0.00 0.00 +0.149 C ATOM 6 O LIG 1 0.553 -1.494 1.860 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 1.089 0.267 -1.080 0.00 0.00 +0.031 A ATOM 8 C LIG 1 2.224 0.628 -1.797 0.00 0.00 +0.066 A ATOM 9 C LIG 1 2.324 1.293 -3.117 0.00 0.00 +0.068 C ATOM 10 N LIG 1 3.329 0.282 -1.121 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.036 -0.824 0.441 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.077 -0.582 -0.386 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.371 -0.924 -0.004 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -4.685 -1.516 1.203 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -5.983 -1.714 1.271 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.543 -1.252 0.104 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.619 -1.790 2.115 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -3.859 -2.427 3.460 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.577 -0.780 -0.658 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.733 -0.183 -2.002 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -2.363 -1.450 1.731 0.00 0.00 +0.032 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.806 1.708 -1.159 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -1.221 2.280 -2.371 0.00 0.00 +0.131 A ATOM 24 F LIG 1 -1.245 1.527 -3.480 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -1.619 3.608 -2.458 0.00 0.00 +0.077 A ATOM 26 C LIG 1 -1.603 4.388 -1.312 0.00 0.00 +0.126 A ATOM 27 F LIG 1 -1.986 5.669 -1.381 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -1.198 3.860 -0.091 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -0.799 2.523 -0.012 0.00 0.00 +0.011 A ENDBRANCH 5 22 BRANCH 1 31 ATOM 30 C LIG 1 5.153 -1.063 0.725 0.00 0.00 +0.241 A ATOM 31 C LIG 1 3.832 -0.726 1.035 0.00 0.00 +0.128 A ATOM 32 C LIG 1 3.456 -0.764 2.384 0.00 0.00 +0.034 A ATOM 33 C LIG 1 4.381 -1.137 3.356 0.00 0.00 +0.022 A ATOM 34 C LIG 1 5.662 -1.455 2.951 0.00 0.00 +0.115 A ATOM 35 N LIG 1 6.064 -1.429 1.666 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 36 C LIG 1 6.946 -1.304 -0.772 0.00 0.00 +0.279 C ATOM 37 O LIG 1 5.544 -1.152 -0.593 0.00 0.00 -0.478 OA ENDBRANCH 30 37 ENDBRANCH 1 31 TORSDOF 4