REMARK Name = BDB034467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.097 -0.073 -0.247 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.352 -0.388 0.437 0.00 0.00 -0.343 N ATOM 3 H LIG 1 -2.331 -1.324 0.835 0.00 0.00 +0.146 HD BRANCH 2 9 ATOM 4 CL LIG 1 -8.677 -1.881 2.459 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -7.199 -1.375 1.737 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -7.219 -0.655 0.547 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -6.046 -0.230 -0.059 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -4.798 -0.545 0.534 0.00 0.00 +0.021 A ATOM 9 C LIG 1 -3.611 -0.111 -0.128 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -3.757 0.673 -1.273 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -5.025 0.926 -1.763 0.00 0.00 +0.113 A ATOM 12 C LIG 1 -4.803 -1.265 1.756 0.00 0.00 +0.013 A ATOM 13 N LIG 1 -6.157 0.479 -1.189 0.00 0.00 -0.255 NA ATOM 14 C LIG 1 -5.994 -1.679 2.351 0.00 0.00 +0.021 A ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 -0.641 1.346 0.100 0.00 0.00 +0.034 C BRANCH 15 16 ATOM 16 C LIG 1 0.604 1.771 -0.679 0.00 0.00 +0.083 C BRANCH 16 17 ATOM 17 N LIG 1 1.747 0.918 -0.363 0.00 0.00 -0.312 NA ATOM 18 H LIG 1 1.959 0.981 0.634 0.00 0.00 +0.122 HD BRANCH 17 19 ATOM 19 C LIG 1 2.935 1.324 -1.114 0.00 0.00 +0.116 C BRANCH 19 20 ATOM 20 C LIG 1 4.118 0.461 -0.742 0.00 0.00 -0.030 A ATOM 21 C LIG 1 5.151 0.975 0.059 0.00 0.00 +0.054 A ATOM 22 C LIG 1 6.202 0.141 0.378 0.00 0.00 +0.167 A ATOM 23 O LIG 1 7.279 0.477 1.138 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 8.016 -0.763 1.126 0.00 0.00 +0.466 C ATOM 25 O LIG 1 7.373 -1.808 0.367 0.00 0.00 -0.453 OA ATOM 26 C LIG 1 6.255 -1.161 -0.060 0.00 0.00 +0.166 A ATOM 27 C LIG 1 5.260 -1.704 -0.842 0.00 0.00 +0.050 A ATOM 28 C LIG 1 4.181 -0.883 -1.182 0.00 0.00 +0.009 A ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 7