REMARK Name = BDB012056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.981 0.261 -0.257 0.00 0.00 +0.126 A ATOM 2 N LIG 1 1.972 1.091 0.077 0.00 0.00 -0.223 NA ATOM 3 C LIG 1 0.746 0.564 0.313 0.00 0.00 +0.125 A ATOM 4 C LIG 1 0.459 -0.797 0.244 0.00 0.00 +0.035 A ATOM 5 C LIG 1 1.519 -1.636 -0.101 0.00 0.00 +0.016 A ATOM 6 C LIG 1 2.790 -1.106 -0.352 0.00 0.00 +0.044 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.865 -1.364 0.506 0.00 0.00 +0.084 A ATOM 8 N LIG 1 -1.160 -2.153 1.612 0.00 0.00 -0.299 N ATOM 9 C LIG 1 -2.511 -2.472 1.539 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -3.051 -3.298 2.565 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -2.267 -3.732 3.575 0.00 0.00 -0.046 A ATOM 12 C LIG 1 -0.856 -3.357 3.631 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -2.782 -4.601 4.683 0.00 0.00 +0.044 C ATOM 14 N LIG 1 -3.083 -1.915 0.497 0.00 0.00 -0.227 NA ATOM 15 C LIG 1 -0.340 -2.585 2.659 0.00 0.00 +0.093 A ATOM 16 C LIG 1 -2.085 -1.224 -0.149 0.00 0.00 +0.098 A BRANCH 16 17 ATOM 17 C LIG 1 -2.368 -0.432 -1.335 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.571 0.277 -1.401 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -3.841 1.055 -2.520 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -5.126 1.822 -2.608 0.00 0.00 +0.065 C ATOM 21 N LIG 1 -2.984 1.150 -3.563 0.00 0.00 -0.260 NA ATOM 22 C LIG 1 -1.838 0.441 -3.489 0.00 0.00 +0.111 A ATOM 23 C LIG 1 -1.490 -0.359 -2.414 0.00 0.00 +0.030 A ENDBRANCH 16 17 ENDBRANCH 4 7 BRANCH 1 25 ATOM 24 C LIG 1 5.434 0.664 -0.864 0.00 0.00 +0.235 C ATOM 25 N LIG 1 4.169 0.953 -0.466 0.00 0.00 -0.269 N ATOM 26 H LIG 1 4.047 1.944 -0.291 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 6.240 1.605 -0.903 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 5.891 -0.754 -1.242 0.00 0.00 +0.137 C ATOM 29 C LIG 1 6.289 -1.506 0.027 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 6.731 -0.317 -3.489 0.00 0.00 +0.101 C ATOM 31 N LIG 1 7.082 -0.704 -2.126 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 7.707 0.016 -1.746 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 3 33 ATOM 33 C LIG 1 -0.243 1.550 0.622 0.00 0.00 -0.040 C ATOM 34 C LIG 1 -1.102 2.363 0.828 0.00 0.00 -0.060 C BRANCH 34 35 ATOM 35 C LIG 1 -2.152 3.313 1.020 0.00 0.00 +0.025 A ATOM 36 C LIG 1 -2.716 3.957 -0.084 0.00 0.00 +0.017 A ATOM 37 C LIG 1 -3.749 4.879 0.096 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -4.218 5.157 1.380 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.657 4.514 2.484 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -2.624 3.592 2.305 0.00 0.00 +0.017 A ENDBRANCH 34 35 ENDBRANCH 3 33 TORSDOF 7