REMARK Name = BDB004390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.585 0.195 -2.563 0.00 0.00 +0.118 C ATOM 2 C LIG 1 0.415 0.323 -1.575 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -0.859 0.474 -2.426 0.00 0.00 +0.118 C ATOM 4 C LIG 1 -0.787 1.715 -3.334 0.00 0.00 +0.096 C ATOM 5 N LIG 1 0.540 2.338 -3.437 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 0.701 2.854 -2.565 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 1.636 1.364 -3.563 0.00 0.00 +0.096 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 3.261 0.914 -0.933 0.00 0.00 -0.312 N ATOM 9 H LIG 1 2.484 1.482 -0.589 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 2.924 -0.026 -1.879 0.00 0.00 +0.220 C ATOM 11 O LIG 1 3.654 -0.964 -2.195 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 6.185 0.859 2.233 0.00 0.00 +0.015 C ATOM 13 C LIG 1 5.324 -0.402 1.997 0.00 0.00 +0.007 C ATOM 14 C LIG 1 4.102 -0.169 1.108 0.00 0.00 +0.022 C ATOM 15 C LIG 1 4.421 0.757 -0.069 0.00 0.00 +0.073 C ATOM 16 C LIG 1 4.926 2.130 0.404 0.00 0.00 +0.022 C ATOM 17 C LIG 1 5.430 2.135 1.848 0.00 0.00 +0.007 C BRANCH 12 18 ATOM 18 C LIG 1 7.542 0.769 1.515 0.00 0.00 +0.163 C BRANCH 18 20 ATOM 19 C LIG 1 9.558 -0.452 1.451 0.00 0.00 +0.193 C ATOM 20 O LIG 1 8.286 -0.318 2.068 0.00 0.00 -0.383 OA ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 -2.068 0.523 -1.494 0.00 0.00 +0.228 C ATOM 22 N LIG 1 -2.892 -0.610 -1.418 0.00 0.00 -0.253 N ATOM 23 O LIG 1 -2.178 1.524 -0.772 0.00 0.00 -0.275 OA BRANCH 22 24 ATOM 24 C LIG 1 -3.876 -0.737 -0.372 0.00 0.00 +0.131 A ATOM 25 N LIG 1 -4.171 -1.992 0.043 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 -5.079 -2.148 1.031 0.00 0.00 +0.120 A ATOM 27 C LIG 1 -5.760 -1.107 1.651 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -5.462 0.187 1.205 0.00 0.00 +0.128 A ATOM 29 C LIG 1 -4.524 0.366 0.182 0.00 0.00 +0.090 A BRANCH 27 30 ATOM 30 C LIG 1 -6.757 -1.378 2.764 0.00 0.00 +0.018 C ATOM 31 C LIG 1 -7.845 -2.370 2.338 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -6.043 -1.868 4.028 0.00 0.00 +0.012 C ENDBRANCH 27 30 BRANCH 28 33 ATOM 33 O LIG 1 -6.138 1.211 1.819 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -5.817 2.543 1.433 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 22 24 BRANCH 22 35 ATOM 35 C LIG 1 -2.627 -1.817 -2.192 0.00 0.00 +0.083 C ATOM 36 C LIG 1 -3.738 -2.630 -2.826 0.00 0.00 +0.025 C ATOM 37 C LIG 1 -2.812 -1.852 -3.697 0.00 0.00 +0.025 C ENDBRANCH 22 35 ENDBRANCH 3 21 BRANCH 2 38 ATOM 38 O LIG 1 0.618 1.458 -0.710 0.00 0.00 -0.390 OA ATOM 39 H LIG 1 -0.247 1.675 -0.296 0.00 0.00 +0.210 HD ENDBRANCH 2 38 TORSDOF 10