REMARK Name = BDB048571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.785 -2.321 1.107 0.00 0.00 +0.066 C ATOM 2 C LIG 1 -5.742 -1.028 0.341 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -4.543 -0.468 -0.113 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -3.215 -1.139 0.109 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -3.079 -2.342 -0.683 0.00 0.00 -0.307 N ATOM 6 H LIG 1 -3.791 -2.535 -1.377 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -2.282 -3.431 -0.440 0.00 0.00 +0.247 C ATOM 8 C LIG 1 -1.177 -3.340 0.495 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -0.405 -2.256 0.867 0.00 0.00 +0.121 A ATOM 10 N LIG 1 0.567 -2.731 1.707 0.00 0.00 -0.266 N ATOM 11 C LIG 1 1.663 -1.969 2.295 0.00 0.00 +0.182 C ATOM 12 C LIG 1 2.660 -1.560 1.236 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.679 -0.263 0.699 0.00 0.00 +0.126 A ATOM 14 O LIG 1 1.819 0.650 1.249 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 1.170 1.547 0.340 0.00 0.00 +0.229 C ATOM 16 C LIG 1 1.754 2.952 0.476 0.00 0.00 +0.045 C ATOM 17 C LIG 1 1.029 3.969 -0.405 0.00 0.00 +0.030 C ATOM 18 C LIG 1 -0.194 4.541 0.254 0.00 0.00 -0.031 C ATOM 19 C LIG 1 -1.482 4.272 -0.011 0.00 0.00 -0.028 C ATOM 20 C LIG 1 -2.030 3.264 -0.981 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -3.104 2.394 -0.321 0.00 0.00 +0.233 C ATOM 22 O LIG 1 -3.528 1.393 -1.260 0.00 0.00 -0.491 OA ATOM 23 C LIG 1 3.600 0.065 -0.302 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.496 -0.895 -0.799 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.462 -2.192 -0.272 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.555 -2.520 0.734 0.00 0.00 +0.009 A ATOM 27 N LIG 1 0.452 -4.051 1.952 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -0.579 -4.421 1.186 0.00 0.00 +0.147 A ATOM 29 O LIG 1 -2.540 -4.482 -1.024 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -4.646 0.750 -0.789 0.00 0.00 +0.130 A ATOM 31 C LIG 1 -5.888 1.321 -1.056 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -7.021 0.686 -0.583 0.00 0.00 +0.120 A ATOM 33 N LIG 1 -6.954 -0.458 0.111 0.00 0.00 -0.237 NA ENDROOT BRANCH 32 34 ATOM 34 N LIG 1 -8.287 1.223 -0.828 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -8.346 2.163 -0.450 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -8.451 1.270 -1.829 0.00 0.00 +0.144 HD ENDBRANCH 32 34 BRANCH 24 37 ATOM 37 C LIG 1 5.490 -0.538 -1.878 0.00 0.00 +0.178 C BRANCH 37 38 ATOM 38 N LIG 1 6.852 -0.488 -1.363 0.00 0.00 -0.267 N ATOM 39 N LIG 1 7.733 -1.458 -1.687 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 8.858 -1.080 -1.074 0.00 0.00 +0.134 A ATOM 41 C LIG 1 8.709 0.133 -0.378 0.00 0.00 +0.041 A ATOM 42 C LIG 1 7.401 0.499 -0.592 0.00 0.00 +0.108 A ENDBRANCH 37 38 ENDBRANCH 24 37 TORSDOF 3