REMARK Name = BDB034270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.710 0.664 -0.622 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.244 0.517 -0.566 0.00 0.00 +0.085 C BRANCH 2 3 ATOM 3 C LIG 1 0.354 1.107 0.721 0.00 0.00 +0.017 C BRANCH 3 4 ATOM 4 C LIG 1 1.807 0.678 0.955 0.00 0.00 +0.020 C BRANCH 4 5 ATOM 5 C LIG 1 2.764 1.163 -0.136 0.00 0.00 +0.101 C BRANCH 5 6 ATOM 6 N LIG 1 4.147 0.823 0.181 0.00 0.00 -0.343 N ATOM 7 H LIG 1 4.458 1.263 1.044 0.00 0.00 +0.146 HD BRANCH 6 13 ATOM 8 CL LIG 1 10.114 -1.950 1.947 0.00 0.00 -0.083 Cl ATOM 9 C LIG 1 8.547 -1.496 1.400 0.00 0.00 +0.043 A ATOM 10 C LIG 1 7.729 -2.434 0.778 0.00 0.00 +0.048 A ATOM 11 C LIG 1 6.463 -2.099 0.323 0.00 0.00 +0.074 A ATOM 12 C LIG 1 5.979 -0.779 0.505 0.00 0.00 +0.021 A ATOM 13 C LIG 1 4.662 -0.479 0.045 0.00 0.00 +0.038 A ATOM 14 C LIG 1 3.971 -1.481 -0.639 0.00 0.00 +0.043 A ATOM 15 C LIG 1 4.540 -2.733 -0.763 0.00 0.00 +0.113 A ATOM 16 C LIG 1 6.837 0.164 1.126 0.00 0.00 +0.013 A ATOM 17 N LIG 1 5.755 -3.059 -0.285 0.00 0.00 -0.255 NA ATOM 18 C LIG 1 8.109 -0.192 1.573 0.00 0.00 +0.021 A ENDBRANCH 6 13 ENDBRANCH 5 6 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -2.106 2.065 -0.868 0.00 0.00 +0.120 C BRANCH 19 20 ATOM 20 C LIG 1 -3.577 2.329 -0.609 0.00 0.00 -0.033 A ATOM 21 C LIG 1 -4.145 1.991 0.634 0.00 0.00 +0.015 A ATOM 22 C LIG 1 -5.507 2.250 0.878 0.00 0.00 -0.000 A ATOM 23 C LIG 1 -6.266 2.849 -0.126 0.00 0.00 +0.046 A ATOM 24 N LIG 1 -7.546 2.988 0.363 0.00 0.00 -0.361 N ATOM 25 H LIG 1 -8.315 3.393 -0.153 0.00 0.00 +0.165 HD ATOM 26 C LIG 1 -7.621 2.498 1.640 0.00 0.00 +0.083 A ATOM 27 C LIG 1 -5.729 3.205 -1.368 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -6.373 2.034 1.986 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -4.373 2.937 -1.589 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 1 30 ATOM 30 C LIG 1 -2.287 -0.217 -1.663 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 C LIG 1 -2.193 -1.692 -1.322 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -2.744 -2.180 -0.127 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -2.669 -3.537 0.186 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.049 -4.423 -0.694 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.506 -3.952 -1.888 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.579 -2.594 -2.203 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 10