REMARK Name = BDB022391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.886 2.338 1.343 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.618 2.138 0.774 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -2.261 0.852 0.307 0.00 0.00 +0.043 A ATOM 4 C LIG 1 -1.103 0.261 -0.301 0.00 0.00 +0.155 A ATOM 5 N LIG 1 -1.283 -1.052 -0.477 0.00 0.00 -0.154 NA ATOM 6 N LIG 1 -2.530 -1.298 -0.042 0.00 0.00 -0.259 N ATOM 7 C LIG 1 -3.172 -0.192 0.459 0.00 0.00 +0.071 A ATOM 8 C LIG 1 -4.436 -0.016 1.040 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -4.775 1.268 1.479 0.00 0.00 +0.015 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 0.035 0.945 -0.646 0.00 0.00 -0.283 N ATOM 11 C LIG 1 1.371 0.492 -0.459 0.00 0.00 +0.038 A ATOM 12 C LIG 1 2.456 1.061 -1.158 0.00 0.00 -0.025 A ATOM 13 C LIG 1 3.775 0.619 -0.922 0.00 0.00 +0.014 A ATOM 14 C LIG 1 4.045 -0.406 -0.010 0.00 0.00 -0.015 A ATOM 15 C LIG 1 2.974 -0.985 0.671 0.00 0.00 +0.010 A ATOM 16 C LIG 1 2.246 2.165 -2.159 0.00 0.00 +0.038 C ATOM 17 C LIG 1 0.800 2.216 -2.618 0.00 0.00 +0.024 C ATOM 18 C LIG 1 1.664 -0.539 0.451 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -0.108 2.198 -1.399 0.00 0.00 +0.113 C BRANCH 14 20 ATOM 20 C LIG 1 5.401 -0.873 0.225 0.00 0.00 +0.020 A ATOM 21 C LIG 1 6.543 -0.107 0.109 0.00 0.00 +0.116 A ATOM 22 N LIG 1 7.589 -0.923 0.432 0.00 0.00 -0.274 N ATOM 23 C LIG 1 8.987 -0.572 0.462 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.214 -2.173 0.755 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 5.884 -2.140 0.630 0.00 0.00 +0.142 A ENDBRANCH 14 20 ENDBRANCH 4 10 BRANCH 6 26 ATOM 26 C LIG 1 -3.039 -2.663 -0.097 0.00 0.00 +0.112 C ATOM 27 C LIG 1 -2.846 -3.310 -1.470 0.00 0.00 +0.055 C ATOM 28 C LIG 1 -3.457 -4.708 -1.489 0.00 0.00 +0.162 C ATOM 29 O LIG 1 -3.547 -5.295 -0.188 0.00 0.00 -0.380 OA ATOM 30 C LIG 1 -2.412 -5.004 0.619 0.00 0.00 +0.162 C ATOM 31 C LIG 1 -2.426 -3.532 1.011 0.00 0.00 +0.055 C ENDBRANCH 6 26 BRANCH 1 35 ATOM 32 C LIG 1 -4.190 6.102 1.562 0.00 0.00 +0.128 C ATOM 33 N LIG 1 -3.753 4.771 1.223 0.00 0.00 -0.314 N ATOM 34 H LIG 1 -3.301 4.639 0.330 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -4.310 3.674 1.850 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -5.137 3.758 2.751 0.00 0.00 -0.270 OA ENDBRANCH 1 35 TORSDOF 4