REMARK Name = BDB054687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.555 0.624 0.935 0.00 0.00 +0.055 A ATOM 2 N LIG 1 2.067 -0.012 -0.200 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.690 0.111 -0.218 0.00 0.00 +0.147 A ATOM 4 C LIG 1 0.311 0.900 0.853 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.047 1.152 0.983 0.00 0.00 +0.126 A ATOM 6 N LIG 1 -1.913 0.627 0.091 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 -1.444 -0.134 -0.917 0.00 0.00 +0.221 A ATOM 8 N LIG 1 -0.148 -0.428 -1.118 0.00 0.00 -0.196 NA ATOM 9 C LIG 1 1.484 1.236 1.562 0.00 0.00 +0.039 A ENDROOT BRANCH 1 13 ATOM 10 N LIG 1 6.155 0.437 1.894 0.00 0.00 -0.271 N ATOM 11 N LIG 1 5.753 1.260 2.877 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 4.447 1.409 2.639 0.00 0.00 +0.144 A ATOM 13 C LIG 1 4.012 0.691 1.502 0.00 0.00 +0.036 A ATOM 14 C LIG 1 5.146 0.063 1.048 0.00 0.00 +0.118 A BRANCH 10 15 ATOM 15 C LIG 1 7.547 0.025 1.821 0.00 0.00 +0.144 C BRANCH 15 16 ATOM 16 C LIG 1 8.392 1.020 1.026 0.00 0.00 +0.026 C BRANCH 16 18 ATOM 17 C LIG 1 10.195 -0.653 0.353 0.00 0.00 +0.007 C ATOM 18 C LIG 1 9.894 0.684 1.032 0.00 0.00 -0.015 C ATOM 19 C LIG 1 10.679 1.802 0.341 0.00 0.00 +0.007 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 13 BRANCH 2 20 ATOM 20 C LIG 1 2.883 -0.679 -1.209 0.00 0.00 +0.089 C ATOM 21 C LIG 1 3.128 -2.154 -0.882 0.00 0.00 +0.025 C ATOM 22 C LIG 1 2.016 -2.890 -1.612 0.00 0.00 +0.002 C ATOM 23 C LIG 1 1.828 -2.116 -2.910 0.00 0.00 +0.002 C ATOM 24 C LIG 1 2.359 -0.703 -2.656 0.00 0.00 +0.025 C ENDBRANCH 2 20 BRANCH 7 25 ATOM 25 N LIG 1 -2.312 -0.700 -1.857 0.00 0.00 -0.282 N ATOM 26 H LIG 1 -1.746 -1.245 -2.494 0.00 0.00 +0.155 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.647 -0.634 -2.005 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -4.337 -1.313 -2.980 0.00 0.00 +0.109 A ATOM 29 N LIG 1 -5.669 -1.009 -2.846 0.00 0.00 -0.344 N ATOM 30 C LIG 1 -6.713 -1.520 -3.709 0.00 0.00 +0.149 C ATOM 31 C LIG 1 -5.861 -0.170 -1.764 0.00 0.00 +0.106 A ATOM 32 C LIG 1 -4.593 0.103 -1.264 0.00 0.00 +0.055 A BRANCH 31 33 ATOM 33 C LIG 1 -7.149 0.358 -1.345 0.00 0.00 +0.263 C ATOM 34 N LIG 1 -7.339 0.615 0.019 0.00 0.00 -0.294 N ATOM 35 C LIG 1 -6.829 -0.304 1.045 0.00 0.00 +0.123 C ATOM 36 C LIG 1 -6.810 0.338 2.446 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -8.080 0.969 2.861 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 -9.101 -0.024 3.184 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -8.532 1.895 1.801 0.00 0.00 +0.103 C ATOM 40 C LIG 1 -8.585 1.289 0.385 0.00 0.00 +0.123 C ATOM 41 O LIG 1 -8.040 0.595 -2.162 0.00 0.00 -0.268 OA ENDBRANCH 31 33 ENDBRANCH 25 27 ENDBRANCH 7 25 TORSDOF 8