REMARK Name = BDB035824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.373 0.815 -1.277 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.166 0.451 -0.183 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.871 0.116 0.948 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.565 0.532 -0.621 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.712 0.261 0.102 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.946 0.407 -0.545 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.978 0.821 -1.900 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.800 1.094 -2.622 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.591 0.939 -1.949 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.194 1.144 -2.436 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.251 0.634 -0.186 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -1.834 0.574 -0.189 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.047 0.883 -1.310 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.713 1.268 -2.480 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.105 1.343 -2.522 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.857 1.032 -1.391 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.325 1.101 2.727 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -3.828 1.203 2.370 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.090 0.268 1.137 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.582 0.729 1.248 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -3.947 -1.281 1.489 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.106 -2.356 0.656 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.436 -2.361 -0.741 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -3.913 -3.462 1.427 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -3.673 -3.099 2.664 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -3.694 -1.726 2.704 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.297 2.223 3.581 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.938 2.327 3.182 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.835 1.521 -4.063 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.184 2.701 -4.264 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.221 0.621 -4.880 0.00 0.00 -0.166 F ATOM 32 F LIG 1 5.088 1.693 -4.562 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.238 0.114 0.191 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.957 -1.016 -0.407 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 8.160 -1.350 0.400 0.00 0.00 +0.086 C ATOM 36 C LIG 1 7.803 -2.833 0.189 0.00 0.00 +0.031 C ATOM 37 C LIG 1 6.363 -2.314 0.018 0.00 0.00 +0.086 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7