REMARK Name = BDB023948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.184 -1.161 1.683 0.00 0.00 +0.012 A ATOM 2 C LIG 1 0.126 -0.835 1.239 0.00 0.00 +0.010 A ATOM 3 C LIG 1 1.214 -1.601 1.693 0.00 0.00 -0.013 A ATOM 4 C LIG 1 2.510 -1.291 1.246 0.00 0.00 +0.052 A ATOM 5 C LIG 1 2.732 -0.246 0.352 0.00 0.00 +0.122 A ATOM 6 N LIG 1 1.696 0.498 -0.085 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 0.990 -2.664 2.585 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -0.296 -2.973 3.025 0.00 0.00 +0.001 A ATOM 9 C LIG 1 0.447 0.203 0.357 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -1.381 -2.226 2.575 0.00 0.00 +0.011 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -3.866 -4.179 -2.348 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -5.001 -3.225 -2.071 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -4.770 -2.217 -1.142 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -3.604 -2.239 -0.237 0.00 0.00 +0.146 C ATOM 15 C LIG 1 -3.402 -0.905 0.389 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -2.356 -0.429 1.216 0.00 0.00 +0.098 A ATOM 17 N LIG 1 -2.561 0.852 1.555 0.00 0.00 -0.170 NA ATOM 18 N LIG 1 -3.720 1.199 0.954 0.00 0.00 -0.264 N ATOM 19 C LIG 1 -4.263 0.164 0.250 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -5.506 0.118 -0.560 0.00 0.00 +0.074 C ATOM 21 C LIG 1 -5.910 -1.357 -0.762 0.00 0.00 +0.114 C ATOM 22 O LIG 1 -6.070 -3.351 -2.668 0.00 0.00 -0.276 OA BRANCH 18 23 ATOM 23 C LIG 1 -4.203 2.559 1.153 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -4.470 3.319 -0.149 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -4.970 4.720 0.169 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -6.130 4.654 0.998 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -5.859 4.061 2.267 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -5.408 2.618 2.095 0.00 0.00 +0.055 C ENDBRANCH 18 23 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 N LIG 1 3.987 0.080 -0.092 0.00 0.00 -0.314 N ATOM 30 C LIG 1 5.192 -0.711 0.116 0.00 0.00 +0.119 C ATOM 31 C LIG 1 6.288 0.144 -0.533 0.00 0.00 +0.094 C ATOM 32 C LIG 1 5.547 0.743 -1.727 0.00 0.00 +0.033 C ATOM 33 C LIG 1 4.149 1.036 -1.180 0.00 0.00 +0.107 C BRANCH 31 34 ATOM 34 C LIG 1 7.496 -0.687 -0.925 0.00 0.00 +0.220 C ATOM 35 N LIG 1 8.578 -0.033 -1.507 0.00 0.00 -0.307 N ATOM 36 C LIG 1 8.822 1.401 -1.444 0.00 0.00 +0.131 C ATOM 37 C LIG 1 9.707 -0.838 -1.947 0.00 0.00 +0.131 C ATOM 38 O LIG 1 7.508 -1.906 -0.736 0.00 0.00 -0.275 OA ENDBRANCH 31 34 ENDBRANCH 5 29 TORSDOF 4