REMARK Name = BDB017648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.123 -1.397 2.634 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.555 -0.519 1.549 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -3.303 -0.021 0.453 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -2.671 0.924 -0.384 0.00 0.00 +0.051 A ATOM 5 N LIG 1 -3.399 1.592 -1.373 0.00 0.00 -0.322 N ATOM 6 H LIG 1 -2.959 2.311 -1.931 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 -4.736 1.428 -1.573 0.00 0.00 +0.254 A ATOM 8 C LIG 1 -5.396 0.350 -0.796 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -6.833 0.064 -1.144 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -7.503 -0.880 -0.144 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -6.571 -2.033 0.199 0.00 0.00 +0.102 C ATOM 12 N LIG 1 -5.303 -1.504 0.691 0.00 0.00 -0.343 N ATOM 13 H LIG 1 -4.620 -2.240 0.847 0.00 0.00 +0.146 HD ATOM 14 O LIG 1 -5.348 2.110 -2.390 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -1.325 1.271 -0.232 0.00 0.00 +0.031 A ATOM 16 C LIG 1 -0.560 0.702 0.786 0.00 0.00 -0.031 A ATOM 17 C LIG 1 -4.715 -0.378 0.114 0.00 0.00 +0.045 A ATOM 18 C LIG 1 -1.190 -0.172 1.679 0.00 0.00 +0.009 A ENDROOT BRANCH 16 19 ATOM 19 C LIG 1 0.895 1.080 0.972 0.00 0.00 +0.120 C BRANCH 19 20 ATOM 20 N LIG 1 1.678 1.004 -0.278 0.00 0.00 -0.293 NA ATOM 21 C LIG 1 2.970 1.732 -0.129 0.00 0.00 +0.071 C ATOM 22 C LIG 1 2.757 3.204 -0.499 0.00 0.00 +0.026 C ATOM 23 C LIG 1 4.140 1.157 -0.985 0.00 0.00 +0.125 C ATOM 24 N LIG 1 4.373 -0.266 -0.698 0.00 0.00 -0.312 N ATOM 25 C LIG 1 3.226 -1.017 -0.169 0.00 0.00 +0.122 C ATOM 26 C LIG 1 1.907 -0.406 -0.685 0.00 0.00 +0.104 C BRANCH 24 27 ATOM 27 C LIG 1 5.630 -0.711 -0.316 0.00 0.00 +0.121 A ATOM 28 N LIG 1 5.717 -1.700 0.605 0.00 0.00 -0.237 NA ATOM 29 C LIG 1 6.946 -2.146 0.963 0.00 0.00 +0.151 A ATOM 30 C LIG 1 8.121 -1.657 0.434 0.00 0.00 +0.142 A ATOM 31 F LIG 1 9.306 -2.139 0.827 0.00 0.00 -0.204 F ATOM 32 C LIG 1 8.048 -0.662 -0.519 0.00 0.00 +0.043 A ATOM 33 C LIG 1 6.790 -0.190 -0.901 0.00 0.00 +0.046 A ENDBRANCH 24 27 ENDBRANCH 19 20 ENDBRANCH 16 19 TORSDOF 3