REMARK Name = BDB050999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.283 0.523 -0.841 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.467 1.657 -0.841 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.120 1.513 -0.537 0.00 0.00 -0.040 A ATOM 4 C LIG 1 2.092 2.597 -0.441 0.00 0.00 +0.038 C ATOM 5 C LIG 1 0.782 1.795 -0.459 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.107 0.407 0.106 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.223 -0.721 -0.440 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.076 -1.019 -1.617 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.314 -1.391 0.630 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.164 -0.868 1.794 0.00 0.00 +0.310 C ATOM 11 O LIG 1 0.053 -1.340 2.914 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 0.869 0.280 1.517 0.00 0.00 -0.281 N ATOM 13 H LIG 1 1.461 0.684 2.231 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 2.570 0.266 -0.223 0.00 0.00 -0.012 A ATOM 15 C LIG 1 3.367 -0.867 -0.213 0.00 0.00 +0.008 A ATOM 16 C LIG 1 4.723 -0.733 -0.532 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 9.702 2.300 -2.028 0.00 0.00 +0.129 C ATOM 18 N LIG 1 8.723 1.281 -1.734 0.00 0.00 -0.302 N ATOM 19 H LIG 1 8.747 0.464 -2.325 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 7.454 1.662 -1.333 0.00 0.00 +0.304 C ATOM 21 N LIG 1 6.656 0.552 -1.154 0.00 0.00 -0.269 N ATOM 22 H LIG 1 7.152 -0.324 -1.099 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 7.140 2.831 -1.161 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 9 24 ATOM 24 C LIG 1 -0.912 -2.702 0.522 0.00 0.00 +0.213 C BRANCH 24 25 ATOM 25 C LIG 1 -2.318 -2.802 -0.086 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.387 -2.068 0.438 0.00 0.00 -0.293 N ATOM 27 O LIG 1 -2.505 -3.650 -0.969 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.736 -2.417 -0.070 0.00 0.00 +0.076 C ATOM 29 C LIG 1 -5.332 -3.584 0.728 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -5.694 -1.247 -0.090 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -5.754 -0.317 -1.279 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.884 -1.271 -1.024 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 BRANCH 26 33 ATOM 33 C LIG 1 -3.285 -1.290 1.676 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -3.083 0.200 1.493 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -2.965 0.816 0.239 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -2.833 2.202 0.133 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.785 2.990 1.280 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.870 2.393 2.534 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.021 1.009 2.639 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7