REMARK Name = BDB020415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.298 0.360 -0.180 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -1.091 0.279 -0.012 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -2.153 -0.613 0.444 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -3.368 0.229 0.210 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -3.064 1.609 -0.345 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -3.414 2.730 0.638 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.671 1.834 -1.732 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.576 -0.384 0.436 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -5.687 0.358 0.170 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -5.607 1.338 0.371 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.652 -1.548 0.823 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -1.595 1.466 -0.438 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -0.554 2.218 -0.842 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -0.537 3.159 -1.222 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 0.618 1.563 -0.692 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 1.118 -0.665 0.148 0.00 0.00 -0.298 N ATOM 17 H LIG 1 0.684 -1.502 0.518 0.00 0.00 +0.154 HD BRANCH 16 21 ATOM 18 C LIG 1 5.332 -1.228 -0.033 0.00 0.00 +0.034 A ATOM 19 C LIG 1 4.768 -0.018 -0.446 0.00 0.00 +0.025 A ATOM 20 C LIG 1 3.382 0.187 -0.395 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.521 -0.808 0.072 0.00 0.00 +0.033 A ATOM 22 C LIG 1 3.099 -2.017 0.489 0.00 0.00 +0.025 A ATOM 23 C LIG 1 4.485 -2.227 0.439 0.00 0.00 +0.025 A BRANCH 18 25 ATOM 24 C LIG 1 7.503 -2.458 0.195 0.00 0.00 +0.248 C ATOM 25 N LIG 1 6.735 -1.350 -0.117 0.00 0.00 -0.282 N ATOM 26 H LIG 1 7.213 -0.541 -0.492 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 7.091 -3.556 0.554 0.00 0.00 -0.270 OA BRANCH 24 30 ATOM 28 C LIG 1 10.986 -0.912 0.039 0.00 0.00 +0.034 A ATOM 29 C LIG 1 9.605 -1.041 0.213 0.00 0.00 +0.036 A ATOM 30 C LIG 1 8.977 -2.283 0.030 0.00 0.00 +0.039 A ATOM 31 C LIG 1 9.747 -3.408 -0.288 0.00 0.00 +0.013 A ATOM 32 C LIG 1 11.126 -3.291 -0.444 0.00 0.00 +0.003 A ATOM 33 C LIG 1 11.741 -2.048 -0.284 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 34 C LIG 1 11.137 1.560 0.372 0.00 0.00 +0.241 C ATOM 35 N LIG 1 11.684 0.307 0.181 0.00 0.00 -0.282 N ATOM 36 H LIG 1 12.690 0.248 0.091 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 9.947 1.845 0.416 0.00 0.00 -0.271 OA BRANCH 34 39 ATOM 38 C LIG 1 11.850 3.898 0.655 0.00 0.00 +0.013 C ATOM 39 C LIG 1 12.187 2.611 0.506 0.00 0.00 +0.060 C ENDBRANCH 34 39 ENDBRANCH 28 35 ENDBRANCH 24 30 ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 40 ATOM 40 C LIG 1 -7.030 -0.187 0.383 0.00 0.00 +0.119 C BRANCH 40 41 ATOM 41 C LIG 1 -8.011 0.980 0.416 0.00 0.00 -0.026 A ATOM 42 C LIG 1 -8.589 1.371 1.635 0.00 0.00 +0.005 A ATOM 43 C LIG 1 -9.459 2.462 1.693 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -9.758 3.179 0.537 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -9.187 2.808 -0.678 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -8.315 1.719 -0.739 0.00 0.00 +0.005 A ENDBRANCH 40 41 BRANCH 40 47 ATOM 47 C LIG 1 -7.387 -1.277 -0.681 0.00 0.00 +0.111 C BRANCH 47 48 ATOM 48 N LIG 1 -8.744 -1.867 -0.582 0.00 0.00 -0.306 NA ATOM 49 C LIG 1 -8.899 -2.649 0.646 0.00 0.00 +0.104 C ATOM 50 C LIG 1 -9.005 -2.716 -1.746 0.00 0.00 +0.104 C ENDBRANCH 47 48 ENDBRANCH 40 47 ENDBRANCH 9 40 TORSDOF 10