REMARK Name = BDB019154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.437 -1.058 1.204 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -1.249 -2.311 0.339 0.00 0.00 +0.195 C ATOM 3 C LIG 1 0.035 -2.023 -0.420 0.00 0.00 +0.179 C ATOM 4 C LIG 1 0.792 -1.120 0.551 0.00 0.00 +0.185 C ATOM 5 O LIG 1 -0.201 -0.306 1.199 0.00 0.00 -0.345 OA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 1.838 -0.265 -0.171 0.00 0.00 +0.180 C ATOM 7 C LIG 1 2.822 0.421 0.722 0.00 0.00 -0.008 A ATOM 8 C LIG 1 4.106 0.220 0.222 0.00 0.00 -0.013 A ATOM 9 C LIG 1 5.216 0.775 0.838 0.00 0.00 +0.047 A ATOM 10 C LIG 1 5.009 1.540 1.984 0.00 0.00 +0.159 A ATOM 11 C LIG 1 3.721 1.746 2.487 0.00 0.00 +0.159 A ATOM 12 F LIG 1 3.544 2.491 3.587 0.00 0.00 -0.202 F ATOM 13 F LIG 1 6.065 2.086 2.603 0.00 0.00 -0.202 F ATOM 14 C LIG 1 4.031 -0.605 -1.008 0.00 0.00 +0.196 C ATOM 15 C LIG 1 2.609 1.192 1.856 0.00 0.00 +0.048 A ATOM 16 O LIG 1 2.680 -1.126 -0.996 0.00 0.00 -0.365 OA ENDBRANCH 4 6 BRANCH 1 21 ATOM 17 C LIG 1 -4.143 1.919 -1.551 0.00 0.00 +0.129 A ATOM 18 C LIG 1 -3.824 1.199 -0.392 0.00 0.00 +0.058 A ATOM 19 C LIG 1 -4.402 1.019 0.894 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -3.585 0.165 1.603 0.00 0.00 +0.091 A ATOM 21 N LIG 1 -2.522 -0.178 0.796 0.00 0.00 -0.303 N ATOM 22 C LIG 1 -2.657 0.444 -0.423 0.00 0.00 +0.148 A ATOM 23 N LIG 1 -1.813 0.337 -1.463 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 -2.221 1.073 -2.512 0.00 0.00 +0.225 A ATOM 25 N LIG 1 -3.323 1.838 -2.616 0.00 0.00 -0.220 NA BRANCH 17 26 ATOM 26 N LIG 1 -5.278 2.707 -1.680 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -5.470 2.905 -2.654 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 -6.063 2.421 -1.112 0.00 0.00 +0.144 HD ENDBRANCH 17 26 ENDBRANCH 1 21 BRANCH 2 29 ATOM 29 O LIG 1 -1.053 -3.470 1.172 0.00 0.00 -0.385 OA ATOM 30 H LIG 1 -0.466 -4.056 0.647 0.00 0.00 +0.210 HD ENDBRANCH 2 29 BRANCH 3 31 ATOM 31 O LIG 1 0.733 -3.233 -0.721 0.00 0.00 -0.386 OA ATOM 32 H LIG 1 1.594 -2.953 -1.096 0.00 0.00 +0.210 HD ENDBRANCH 3 31 TORSDOF 5