REMARK Name = BDB038559 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.778 0.187 -0.199 0.00 0.00 +0.129 A ATOM 2 N LIG 1 0.837 1.373 0.431 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -0.225 2.210 0.404 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.402 1.876 -0.251 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.507 0.634 -0.880 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -0.383 -0.207 -0.860 0.00 0.00 +0.052 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 7.394 -3.078 0.721 0.00 0.00 +0.044 C ATOM 8 C LIG 1 5.972 -2.842 0.299 0.00 0.00 -0.050 A ATOM 9 C LIG 1 5.309 -1.671 0.686 0.00 0.00 +0.016 A ATOM 10 C LIG 1 4.011 -1.486 0.244 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.099 -0.364 0.504 0.00 0.00 +0.253 C ATOM 12 N LIG 1 1.911 -0.654 -0.169 0.00 0.00 -0.248 N ATOM 13 C LIG 1 1.983 -1.922 -0.870 0.00 0.00 +0.151 C ATOM 14 O LIG 1 3.432 0.576 1.200 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 3.358 -2.407 -0.568 0.00 0.00 -0.018 A ATOM 16 C LIG 1 4.001 -3.563 -0.971 0.00 0.00 +0.006 A ATOM 17 C LIG 1 5.316 -3.773 -0.537 0.00 0.00 +0.004 A ENDBRANCH 1 12 BRANCH 5 18 ATOM 18 C LIG 1 -2.762 0.206 -1.533 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -4.015 0.182 -0.865 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -5.172 -0.201 -1.563 0.00 0.00 +0.050 A ATOM 21 C LIG 1 -5.093 -0.580 -2.896 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -6.203 -0.953 -3.545 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -3.880 -0.577 -3.566 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -2.724 -0.182 -2.891 0.00 0.00 +0.012 A BRANCH 19 25 ATOM 25 C LIG 1 -4.183 0.580 0.533 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -3.650 -0.037 1.639 0.00 0.00 -0.317 N ATOM 27 C LIG 1 -2.861 -1.236 1.708 0.00 0.00 +0.152 C ATOM 28 C LIG 1 -4.046 0.698 2.716 0.00 0.00 +0.225 A ATOM 29 N LIG 1 -4.802 1.690 2.316 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -4.901 1.609 0.948 0.00 0.00 -0.129 NA ENDBRANCH 19 25 ENDBRANCH 5 18 BRANCH 3 31 ATOM 31 C LIG 1 -0.064 3.523 1.144 0.00 0.00 +0.032 C ATOM 32 C LIG 1 -1.057 3.641 2.302 0.00 0.00 +0.014 C ATOM 33 C LIG 1 -0.170 4.721 0.200 0.00 0.00 +0.014 C ENDBRANCH 3 31 TORSDOF 4