REMARK Name = BDB023890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 4.329 -0.259 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -1.844 4.085 0.019 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.309 2.783 -0.119 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.512 1.728 -0.780 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -2.045 0.382 -0.437 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.552 -0.917 -0.721 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -2.386 -1.860 -0.255 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -3.375 -1.183 0.362 0.00 0.00 -0.262 N ATOM 9 C LIG 1 -3.223 0.168 0.245 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -4.101 1.247 0.761 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -3.763 2.554 0.012 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -2.568 5.019 0.366 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -0.335 -1.207 -1.446 0.00 0.00 +0.006 C ATOM 14 C LIG 1 1.027 -0.779 -1.000 0.00 0.00 -0.013 A ATOM 15 C LIG 1 2.103 -0.756 -1.908 0.00 0.00 -0.039 A ATOM 16 C LIG 1 3.370 -0.307 -1.497 0.00 0.00 +0.012 A ATOM 17 C LIG 1 3.600 0.085 -0.172 0.00 0.00 -0.015 A ATOM 18 C LIG 1 2.538 0.027 0.737 0.00 0.00 +0.009 A ATOM 19 C LIG 1 1.879 -1.174 -3.339 0.00 0.00 +0.040 C ATOM 20 C LIG 1 0.788 -2.239 -3.449 0.00 0.00 +0.032 C ATOM 21 C LIG 1 1.270 -0.402 0.329 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -0.399 -1.925 -2.589 0.00 0.00 -0.016 C BRANCH 17 23 ATOM 23 C LIG 1 4.917 0.545 0.234 0.00 0.00 +0.020 A ATOM 24 C LIG 1 5.450 0.425 1.502 0.00 0.00 +0.116 A ATOM 25 N LIG 1 6.702 0.966 1.447 0.00 0.00 -0.274 N ATOM 26 C LIG 1 7.653 1.066 2.527 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.030 1.435 0.231 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.946 1.175 -0.505 0.00 0.00 +0.142 A ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 29 ATOM 29 C LIG 1 -4.457 -1.886 1.036 0.00 0.00 +0.135 C ATOM 30 C LIG 1 -4.241 -1.930 2.545 0.00 0.00 +0.186 C ATOM 31 O LIG 1 -3.874 -3.273 2.911 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -3.723 -4.033 1.706 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -4.603 -3.356 0.680 0.00 0.00 +0.057 C ENDBRANCH 8 29 TORSDOF 3