REMARK Name = BDB003776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.680 2.523 -0.426 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.530 3.508 -0.264 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.023 2.234 -0.210 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -2.529 1.011 -0.397 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -3.852 0.785 -0.179 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -4.339 -0.526 -0.414 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -5.000 -1.220 0.618 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -6.157 -0.696 1.209 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -6.835 0.527 0.720 0.00 0.00 +0.261 A ATOM 10 N LIG 1 -6.130 1.685 0.370 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -6.935 2.890 0.173 0.00 0.00 +0.152 C ATOM 12 O LIG 1 -8.070 0.506 0.746 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -6.805 -1.390 2.252 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -6.306 -2.597 2.731 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.160 -3.128 2.161 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.520 -2.450 1.118 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -3.463 -1.306 -1.294 0.00 0.00 +0.151 C ATOM 18 C LIG 1 -4.710 1.807 0.222 0.00 0.00 +0.106 A ATOM 19 C LIG 1 -4.080 3.034 0.373 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -2.768 3.272 0.172 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 26 ATOM 21 C LIG 1 1.528 -1.898 -1.111 0.00 0.00 +0.044 C ATOM 22 C LIG 1 1.592 -0.398 -1.067 0.00 0.00 -0.037 A ATOM 23 C LIG 1 2.774 0.295 -1.363 0.00 0.00 +0.040 A ATOM 24 C LIG 1 2.803 1.692 -1.357 0.00 0.00 +0.015 A ATOM 25 C LIG 1 1.647 2.406 -1.032 0.00 0.00 +0.024 A ATOM 26 C LIG 1 0.449 1.748 -0.712 0.00 0.00 +0.034 A ATOM 27 C LIG 1 0.441 0.346 -0.749 0.00 0.00 +0.027 A BRANCH 23 28 ATOM 28 C LIG 1 4.012 -0.428 -1.724 0.00 0.00 +0.247 C ATOM 29 N LIG 1 5.044 -0.473 -0.787 0.00 0.00 -0.295 N ATOM 30 C LIG 1 6.191 -1.323 -1.107 0.00 0.00 +0.123 C ATOM 31 C LIG 1 7.457 -0.928 -0.327 0.00 0.00 +0.103 C ATOM 32 N LIG 1 7.216 -0.844 1.128 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 8.435 -0.448 1.830 0.00 0.00 +0.105 C ATOM 34 C LIG 1 6.128 0.120 1.388 0.00 0.00 +0.103 C ATOM 35 C LIG 1 4.829 -0.253 0.649 0.00 0.00 +0.123 C ATOM 36 O LIG 1 4.072 -0.938 -2.839 0.00 0.00 -0.270 OA ENDBRANCH 23 28 ENDBRANCH 1 26 TORSDOF 3