REMARK Name = BDB034303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.844 0.417 1.187 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.510 1.478 1.966 0.00 0.00 +0.120 C BRANCH 2 5 ATOM 3 C LIG 1 -5.686 2.057 -0.094 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -4.346 1.878 0.264 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -3.970 1.656 1.599 0.00 0.00 -0.030 A ATOM 6 C LIG 1 -4.963 1.632 2.583 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -6.302 1.811 2.234 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -6.664 2.021 0.900 0.00 0.00 +0.046 A BRANCH 3 9 ATOM 9 O LIG 1 -5.891 2.253 -1.430 0.00 0.00 -0.406 OA BRANCH 9 11 ATOM 10 F LIG 1 -7.215 2.605 -3.214 0.00 0.00 -0.133 F ATOM 11 C LIG 1 -7.224 2.433 -1.873 0.00 0.00 +0.575 C ATOM 12 F LIG 1 -7.983 1.350 -1.597 0.00 0.00 -0.133 F ATOM 13 F LIG 1 -7.782 3.529 -1.315 0.00 0.00 -0.133 F ENDBRANCH 9 11 ENDBRANCH 3 9 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 -2.312 -0.915 1.627 0.00 0.00 +0.120 C BRANCH 14 15 ATOM 15 C LIG 1 -1.936 -2.024 0.662 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -1.230 -3.151 1.105 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -0.891 -4.170 0.213 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -1.261 -4.077 -1.128 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -1.970 -2.966 -1.579 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.309 -1.946 -0.689 0.00 0.00 +0.005 A ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 1 21 ATOM 21 C LIG 1 -0.378 0.522 1.288 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 0.170 1.607 0.349 0.00 0.00 +0.017 C BRANCH 22 23 ATOM 23 C LIG 1 1.701 1.643 0.301 0.00 0.00 +0.020 C BRANCH 23 24 ATOM 24 C LIG 1 2.311 0.414 -0.382 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 N LIG 1 3.753 0.606 -0.519 0.00 0.00 -0.343 N ATOM 26 H LIG 1 4.176 0.960 0.335 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 4.552 -0.414 -1.080 0.00 0.00 +0.038 A ATOM 28 C LIG 1 5.973 -0.290 -1.077 0.00 0.00 +0.021 A ATOM 29 C LIG 1 6.732 -1.331 -1.665 0.00 0.00 +0.074 A ATOM 30 C LIG 1 8.117 -1.254 -1.659 0.00 0.00 +0.048 A ATOM 31 C LIG 1 8.779 -0.165 -1.100 0.00 0.00 +0.043 A ATOM 32 C LIG 1 8.060 0.878 -0.537 0.00 0.00 +0.021 A ATOM 33 CL LIG 1 10.499 -0.106 -1.115 0.00 0.00 -0.083 Cl ATOM 34 N LIG 1 6.176 -2.402 -2.245 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 4.832 -2.464 -2.289 0.00 0.00 +0.113 A ATOM 36 C LIG 1 6.667 0.818 -0.528 0.00 0.00 +0.013 A ATOM 37 C LIG 1 3.995 -1.510 -1.744 0.00 0.00 +0.043 A ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12