REMARK Name = BDB018972 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.566 0.690 -0.474 0.00 0.00 +0.127 C ATOM 2 N LIG 1 -0.691 0.899 -1.756 0.00 0.00 -0.285 NA ATOM 3 H LIG 1 0.184 1.341 -2.067 0.00 0.00 +0.188 HD ENDROOT BRANCH 1 10 ATOM 4 C LIG 1 4.505 -0.213 -0.958 0.00 0.00 -0.015 A ATOM 5 C LIG 1 4.332 0.788 0.004 0.00 0.00 +0.014 A ATOM 6 C LIG 1 3.046 1.216 0.389 0.00 0.00 -0.025 A ATOM 7 C LIG 1 2.938 2.283 1.449 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.551 2.901 1.483 0.00 0.00 +0.024 C ATOM 9 C LIG 1 0.510 1.794 1.465 0.00 0.00 +0.113 C ATOM 10 N LIG 1 0.593 1.037 0.209 0.00 0.00 -0.285 N ATOM 11 C LIG 1 1.896 0.631 -0.181 0.00 0.00 +0.038 A ATOM 12 C LIG 1 2.090 -0.373 -1.146 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.370 -0.786 -1.534 0.00 0.00 +0.010 A BRANCH 4 15 ATOM 14 C LIG 1 6.777 -1.018 -0.476 0.00 0.00 +0.077 C ATOM 15 C LIG 1 5.848 -0.652 -1.379 0.00 0.00 +0.013 C BRANCH 14 17 ATOM 16 C LIG 1 9.076 -1.472 0.382 0.00 0.00 +0.125 C ATOM 17 N LIG 1 8.093 -1.384 -0.679 0.00 0.00 -0.352 N ATOM 18 H LIG 1 8.474 -1.075 -1.577 0.00 0.00 +0.145 HD ENDBRANCH 14 17 BRANCH 15 19 ATOM 19 C LIG 1 6.193 -0.660 -2.829 0.00 0.00 +0.111 C ATOM 20 N LIG 1 6.962 -1.515 -3.421 0.00 0.00 -0.307 NA ATOM 21 H LIG 1 7.275 -2.212 -2.728 0.00 0.00 +0.186 HD ENDBRANCH 15 19 ENDBRANCH 4 15 ENDBRANCH 1 10 BRANCH 1 22 ATOM 22 C LIG 1 -1.730 0.077 0.261 0.00 0.00 +0.036 A ATOM 23 C LIG 1 -3.072 0.365 -0.107 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -4.082 -0.228 0.662 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -3.791 -1.111 1.712 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -2.466 -1.418 2.024 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -1.436 -0.818 1.302 0.00 0.00 +0.026 A BRANCH 26 28 ATOM 28 C LIG 1 -2.111 -2.337 3.136 0.00 0.00 +0.244 C ATOM 29 N LIG 1 -3.009 -3.351 3.401 0.00 0.00 -0.314 N ATOM 30 H LIG 1 -3.711 -3.567 2.706 0.00 0.00 +0.149 HD ATOM 31 C LIG 1 -2.696 -4.367 4.374 0.00 0.00 +0.128 C ATOM 32 O LIG 1 -1.055 -2.186 3.740 0.00 0.00 -0.270 OA ENDBRANCH 26 28 BRANCH 23 33 ATOM 33 N LIG 1 -3.329 1.303 -1.105 0.00 0.00 -0.340 N ATOM 34 H LIG 1 -2.500 1.346 -1.726 0.00 0.00 +0.146 HD BRANCH 33 35 ATOM 35 C LIG 1 -4.569 1.534 -1.846 0.00 0.00 +0.075 C ATOM 36 C LIG 1 -5.577 2.357 -1.051 0.00 0.00 +0.050 C ATOM 37 C LIG 1 -6.810 2.658 -1.900 0.00 0.00 +0.161 C ATOM 38 O LIG 1 -7.077 1.677 -2.904 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 -6.690 0.362 -2.523 0.00 0.00 +0.161 C ATOM 40 C LIG 1 -5.172 0.267 -2.458 0.00 0.00 +0.050 C ENDBRANCH 33 35 ENDBRANCH 23 33 ENDBRANCH 1 22 TORSDOF 8