REMARK Name = BDB023882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.180 2.134 3.944 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -2.181 2.155 2.816 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.508 1.458 1.660 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.557 1.574 0.539 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.787 0.484 -0.449 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.033 0.116 -1.588 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -1.609 -0.909 -2.229 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.701 -1.228 -1.495 0.00 0.00 -0.262 N ATOM 9 C LIG 1 -2.857 -0.390 -0.427 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.905 -0.363 0.627 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -3.877 1.009 1.334 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -1.119 2.765 2.945 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.189 0.733 -2.095 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.442 0.585 -1.437 0.00 0.00 -0.009 A ATOM 15 C LIG 1 2.566 1.261 -1.972 0.00 0.00 -0.017 A ATOM 16 C LIG 1 3.820 1.151 -1.343 0.00 0.00 +0.017 A ATOM 17 C LIG 1 3.996 0.379 -0.187 0.00 0.00 -0.014 A ATOM 18 C LIG 1 2.896 -0.302 0.335 0.00 0.00 +0.009 A ATOM 19 C LIG 1 2.427 2.039 -3.133 0.00 0.00 +0.008 A ATOM 20 C LIG 1 1.199 2.156 -3.779 0.00 0.00 +0.001 A ATOM 21 C LIG 1 1.644 -0.205 -0.281 0.00 0.00 +0.010 A ATOM 22 C LIG 1 0.085 1.505 -3.263 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.303 0.287 0.439 0.00 0.00 +0.020 A ATOM 24 C LIG 1 5.529 0.143 1.792 0.00 0.00 +0.116 A ATOM 25 N LIG 1 6.884 0.121 1.956 0.00 0.00 -0.274 N ATOM 26 C LIG 1 7.607 -0.005 3.197 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.566 0.240 0.802 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.603 0.344 -0.118 0.00 0.00 +0.142 A ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.453 -2.389 -1.944 0.00 0.00 +0.135 C ATOM 30 C LIG 1 -4.959 -2.321 -1.796 0.00 0.00 +0.186 C ATOM 31 O LIG 1 -5.298 -2.970 -0.559 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -4.177 -3.754 -0.130 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -3.100 -3.653 -1.189 0.00 0.00 +0.057 C ENDBRANCH 8 29 TORSDOF 3