REMARK Name = BDB024194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.754 -0.536 -0.416 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.667 -2.037 -0.680 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.259 -2.534 -1.611 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.354 -3.904 -1.865 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.482 -4.797 -1.198 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.415 -4.321 -0.280 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.510 -2.951 -0.025 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.609 -0.241 1.102 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.589 0.000 1.703 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.484 0.139 2.698 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.600 -0.231 1.851 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.882 0.035 1.186 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.113 -0.132 -0.123 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.401 -0.089 -0.553 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.503 0.123 0.268 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.237 0.300 1.625 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.919 0.256 2.088 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.849 0.148 -0.271 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.931 0.785 0.305 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.992 0.573 -0.528 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.344 1.047 -0.353 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.682 -0.157 -1.613 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.382 -0.415 -1.456 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.056 -0.026 -0.926 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.786 -0.292 -0.262 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.083 1.422 -1.153 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -2.718 2.265 -0.033 0.00 0.00 +0.050 C BRANCH 27 32 ATOM 28 C LIG 1 -8.382 1.200 0.847 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -6.924 1.453 0.609 0.00 0.00 -0.050 A ATOM 30 C LIG 1 -6.499 2.141 -0.533 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -5.143 2.402 -0.741 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.186 1.988 0.195 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -4.614 1.314 1.345 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.971 1.053 1.552 0.00 0.00 +0.003 A ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8