REMARK Name = BDB036383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.189 0.891 -0.822 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.103 1.310 -0.426 0.00 0.00 +0.012 A ATOM 3 C LIG 1 1.144 1.510 -1.355 0.00 0.00 +0.009 A ATOM 4 C LIG 1 0.854 1.273 -2.687 0.00 0.00 +0.128 A ATOM 5 O LIG 1 1.740 1.427 -3.725 0.00 0.00 -0.491 OA ATOM 6 C LIG 1 1.084 0.766 -4.831 0.00 0.00 +0.234 C ATOM 7 C LIG 1 -0.421 0.751 -4.577 0.00 0.00 +0.080 C ATOM 8 C LIG 1 -0.405 0.868 -3.102 0.00 0.00 -0.002 A ATOM 9 C LIG 1 -1.434 0.683 -2.195 0.00 0.00 +0.011 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.337 0.654 0.165 0.00 0.00 +0.060 C BRANCH 10 11 ATOM 11 C LIG 1 -2.864 -0.795 0.160 0.00 0.00 -0.034 A ATOM 12 C LIG 1 -2.058 -1.942 0.376 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -0.573 -1.880 0.595 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -2.700 -3.203 0.323 0.00 0.00 +0.116 A ATOM 15 N LIG 1 -2.149 -4.452 0.466 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -3.112 -5.348 0.334 0.00 0.00 -0.065 NA ATOM 17 N LIG 1 -4.256 -4.679 0.100 0.00 0.00 -0.247 N ATOM 18 C LIG 1 -5.456 -5.437 -0.139 0.00 0.00 +0.175 C ATOM 19 C LIG 1 -4.071 -3.317 0.102 0.00 0.00 +0.092 A ATOM 20 C LIG 1 -4.909 -2.204 -0.064 0.00 0.00 -0.017 A ATOM 21 C LIG 1 -4.255 -0.957 -0.045 0.00 0.00 +0.010 A BRANCH 20 22 ATOM 22 C LIG 1 -6.386 -2.369 -0.276 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -7.267 -2.812 0.869 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -7.368 -1.410 0.360 0.00 0.00 +0.009 C ENDBRANCH 20 22 ENDBRANCH 10 11 BRANCH 10 25 ATOM 25 C LIG 1 -2.143 1.123 1.618 0.00 0.00 +0.133 C BRANCH 25 26 ATOM 26 C LIG 1 -2.243 2.624 1.714 0.00 0.00 +0.308 C ATOM 27 O LIG 1 -3.291 3.246 1.576 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 -1.025 3.171 1.982 0.00 0.00 -0.465 OA BRANCH 28 30 ATOM 29 C LIG 1 -1.112 5.029 3.517 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -0.978 4.604 2.066 0.00 0.00 +0.229 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 10 25 ENDBRANCH 1 10 BRANCH 3 31 ATOM 31 C LIG 1 2.522 1.935 -0.897 0.00 0.00 +0.124 C BRANCH 31 32 ATOM 32 N LIG 1 3.512 0.836 -0.859 0.00 0.00 -0.286 NA ATOM 33 C LIG 1 4.884 1.312 -0.531 0.00 0.00 +0.106 C ATOM 34 C LIG 1 5.344 2.555 -1.316 0.00 0.00 +0.031 C ATOM 35 C LIG 1 5.136 1.448 0.967 0.00 0.00 +0.100 A ATOM 36 C LIG 1 5.296 0.286 1.727 0.00 0.00 +0.144 A ATOM 37 C LIG 1 5.577 0.408 3.084 0.00 0.00 +0.049 A ATOM 38 C LIG 1 5.630 1.673 3.659 0.00 0.00 +0.023 A ATOM 39 C LIG 1 5.405 2.772 2.847 0.00 0.00 +0.111 A ATOM 40 O LIG 1 5.255 -0.976 1.214 0.00 0.00 -0.486 OA ATOM 41 C LIG 1 4.104 -1.351 0.416 0.00 0.00 +0.187 C ATOM 42 N LIG 1 5.155 2.690 1.522 0.00 0.00 -0.255 NA ATOM 43 C LIG 1 3.075 -0.240 0.062 0.00 0.00 +0.130 C BRANCH 41 44 ATOM 44 C LIG 1 4.621 -2.159 -0.790 0.00 0.00 +0.042 C ATOM 45 C LIG 1 3.524 -2.779 -1.641 0.00 0.00 +0.007 C ENDBRANCH 41 44 ENDBRANCH 31 32 ENDBRANCH 3 31 TORSDOF 10