REMARK Name = BDB004864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.008 1.760 -0.399 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.058 0.804 -1.126 0.00 0.00 -0.030 C ATOM 3 C LIG 1 -1.175 0.459 -0.427 0.00 0.00 +0.024 C ATOM 4 C LIG 1 -2.169 -0.256 -0.984 0.00 0.00 +0.011 C ATOM 5 C LIG 1 -2.055 -0.782 -2.396 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.668 -0.641 -3.043 0.00 0.00 +0.033 C ATOM 7 C LIG 1 0.277 0.294 -2.351 0.00 0.00 -0.021 C BRANCH 4 8 ATOM 8 N LIG 1 -3.314 -0.495 -0.242 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -3.312 -0.130 0.706 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -4.471 -1.141 -0.651 0.00 0.00 +0.251 C ATOM 11 O LIG 1 -4.662 -1.601 -1.773 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.563 -1.274 0.362 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -5.467 -0.775 1.663 0.00 0.00 +0.135 A ATOM 14 F LIG 1 -4.363 -0.134 2.080 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -6.514 -0.924 2.574 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -7.681 -1.581 2.189 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -7.797 -2.086 0.895 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -6.745 -1.934 -0.013 0.00 0.00 +0.016 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 1.774 1.026 0.629 0.00 0.00 -0.322 N ATOM 20 H LIG 1 1.132 0.534 1.244 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 2.816 0.143 0.299 0.00 0.00 +0.130 A ATOM 22 C LIG 1 3.519 -0.506 1.339 0.00 0.00 +0.041 A ATOM 23 C LIG 1 4.536 -1.405 0.957 0.00 0.00 +0.088 A ATOM 24 C LIG 1 5.236 -2.075 1.983 0.00 0.00 +0.063 A ATOM 25 C LIG 1 4.944 -1.845 3.341 0.00 0.00 +0.015 A ATOM 26 C LIG 1 3.957 -0.946 3.708 0.00 0.00 +0.002 A ATOM 27 N LIG 1 4.816 -1.601 -0.350 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 4.111 -0.907 -1.250 0.00 0.00 +0.223 A ATOM 29 C LIG 1 3.252 -0.281 2.714 0.00 0.00 +0.013 A ATOM 30 N LIG 1 3.135 -0.043 -0.987 0.00 0.00 -0.220 NA BRANCH 24 31 ATOM 31 C LIG 1 6.330 -3.063 1.720 0.00 0.00 +0.244 C ATOM 32 O LIG 1 6.928 -3.618 2.636 0.00 0.00 -0.270 OA ATOM 33 N LIG 1 6.657 -3.345 0.427 0.00 0.00 -0.325 N ATOM 34 H LIG 1 7.402 -3.999 0.240 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 6.184 -2.879 -0.342 0.00 0.00 +0.145 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 36 ATOM 36 C LIG 1 1.894 2.701 -1.241 0.00 0.00 +0.055 C BRANCH 36 37 ATOM 37 C LIG 1 1.084 3.695 -2.072 0.00 0.00 +0.161 C BRANCH 37 39 ATOM 38 C LIG 1 -0.474 5.458 -1.944 0.00 0.00 +0.193 C ATOM 39 O LIG 1 0.306 4.523 -1.209 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 9