REMARK Name = BDB026102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.113 -0.652 0.176 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.674 -1.974 0.335 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.563 -2.977 0.416 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.679 -2.305 0.407 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.657 -1.313 0.316 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.237 0.030 0.152 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.126 0.347 0.090 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.038 -1.592 0.401 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.550 -1.629 1.791 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.286 -2.943 2.174 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.304 -4.077 2.501 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.276 -3.451 1.187 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.643 -3.152 1.624 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.035 -2.943 -0.191 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.557 -3.961 -1.212 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.539 -2.656 -0.489 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.257 0.372 -0.145 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.356 0.913 -0.989 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 3.049 0.565 -0.857 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.544 -0.314 0.097 0.00 0.00 +0.003 A ATOM 21 C LIG 1 3.489 -0.847 0.974 0.00 0.00 +0.013 A ATOM 22 C LIG 1 4.839 -0.503 0.857 0.00 0.00 +0.044 A BRANCH 17 29 ATOM 23 C LIG 1 8.731 2.936 0.091 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.387 2.172 -1.186 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.303 1.065 -1.291 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.663 -0.220 -1.280 0.00 0.00 +0.133 C ATOM 27 C LIG 1 9.754 -1.270 -1.113 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.606 -0.338 -0.160 0.00 0.00 +0.137 C ATOM 29 N LIG 1 6.597 0.731 -0.262 0.00 0.00 -0.310 N ATOM 30 C LIG 1 6.892 1.783 -1.245 0.00 0.00 +0.137 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.268 0.987 0.038 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.193 0.571 0.127 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.158 2.324 -0.251 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.137 2.957 -0.492 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.486 2.995 -0.347 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -4.344 3.270 0.794 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -5.524 3.883 0.587 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -5.966 4.277 -0.779 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -7.063 4.807 -0.914 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.070 4.002 -1.808 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -5.411 4.380 -3.171 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.855 3.376 -1.580 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -3.883 2.900 2.170 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -2.606 3.294 2.403 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -3.914 1.551 2.339 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6