REMARK Name = BDB010663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.806 0.212 0.990 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.335 0.713 -0.211 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.400 1.844 0.072 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -0.443 1.868 1.460 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.119 2.775 2.181 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -1.767 3.668 1.427 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.774 3.744 0.077 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.065 2.837 -0.634 0.00 0.00 +0.102 A ATOM 9 N LIG 1 0.295 0.864 2.006 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 3.580 -1.072 3.234 0.00 0.00 +0.121 C ATOM 11 C LIG 1 2.105 -1.431 3.431 0.00 0.00 +0.053 C ATOM 12 C LIG 1 1.379 -1.828 2.136 0.00 0.00 +0.076 C ATOM 13 C LIG 1 1.700 -3.252 1.674 0.00 0.00 +0.028 C ATOM 14 N LIG 1 1.637 -0.868 1.033 0.00 0.00 -0.298 N ATOM 15 C LIG 1 3.068 -0.577 0.815 0.00 0.00 +0.111 C ATOM 16 C LIG 1 3.738 -0.073 2.089 0.00 0.00 +0.050 C BRANCH 10 18 ATOM 17 C LIG 1 4.724 -2.991 4.075 0.00 0.00 +0.194 C ATOM 18 O LIG 1 4.385 -2.218 2.930 0.00 0.00 -0.380 OA ENDBRANCH 10 18 ENDBRANCH 1 14 BRANCH 6 19 ATOM 19 C LIG 1 -2.555 4.687 2.151 0.00 0.00 +0.287 A ATOM 20 O LIG 1 -3.216 5.582 1.370 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 -3.849 6.390 2.261 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -4.563 7.337 1.985 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -3.524 5.923 3.504 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -3.842 6.313 4.380 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -2.704 4.842 3.434 0.00 0.00 -0.127 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 C LIG 1 -1.056 3.018 -2.075 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -2.224 2.879 -2.837 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -2.176 3.054 -4.216 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 -3.591 2.865 -5.169 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 -0.961 3.374 -4.801 0.00 0.00 +0.130 A ATOM 31 N LIG 1 0.189 3.533 -4.103 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 0.107 3.371 -2.761 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 2 33 ATOM 33 C LIG 1 0.503 0.053 -1.496 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -0.305 -1.251 -1.645 0.00 0.00 +0.009 C ATOM 35 C LIG 1 0.046 -1.954 -2.960 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -0.623 -3.328 -3.063 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.057 -3.378 -2.505 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.118 -4.131 -1.172 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.663 -1.977 -2.385 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.824 -1.014 -1.540 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 6