REMARK Name = BDB048572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.780 -2.370 1.030 0.00 0.00 +0.066 C ATOM 2 C LIG 1 -5.736 -1.091 0.242 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -4.534 -0.525 -0.196 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -3.204 -1.176 0.064 0.00 0.00 +0.145 C ATOM 5 N LIG 1 -3.037 -2.391 -0.704 0.00 0.00 -0.307 N ATOM 6 H LIG 1 -3.733 -2.604 -1.408 0.00 0.00 +0.149 HD ATOM 7 C LIG 1 -2.233 -3.466 -0.425 0.00 0.00 +0.247 C ATOM 8 C LIG 1 -1.148 -3.344 0.530 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -0.397 -2.244 0.898 0.00 0.00 +0.121 A ATOM 10 N LIG 1 0.564 -2.694 1.766 0.00 0.00 -0.266 N ATOM 11 C LIG 1 1.638 -1.908 2.362 0.00 0.00 +0.182 C ATOM 12 C LIG 1 2.652 -1.505 1.318 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.666 -0.218 0.758 0.00 0.00 +0.126 A ATOM 14 O LIG 1 1.784 0.695 1.274 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 1.144 1.567 0.336 0.00 0.00 +0.229 C ATOM 16 C LIG 1 1.708 2.982 0.459 0.00 0.00 +0.045 C ATOM 17 C LIG 1 0.989 3.974 -0.454 0.00 0.00 +0.030 C ATOM 18 C LIG 1 -0.253 4.543 0.170 0.00 0.00 -0.031 C ATOM 19 C LIG 1 -1.532 4.254 -0.117 0.00 0.00 -0.028 C ATOM 20 C LIG 1 -2.048 3.222 -1.079 0.00 0.00 +0.068 C ATOM 21 C LIG 1 -3.125 2.351 -0.427 0.00 0.00 +0.233 C ATOM 22 O LIG 1 -3.518 1.328 -1.356 0.00 0.00 -0.491 OA ATOM 23 C LIG 1 3.604 0.104 -0.230 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.521 -0.854 -0.692 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.492 -2.141 -0.143 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.568 -2.463 0.850 0.00 0.00 +0.009 A ATOM 27 N LIG 1 0.459 -4.010 2.032 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -0.551 -4.406 1.252 0.00 0.00 +0.147 A ATOM 29 O LIG 1 -2.466 -4.529 -0.995 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -4.638 0.680 -0.896 0.00 0.00 +0.130 A ATOM 31 C LIG 1 -5.881 1.231 -1.199 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -7.015 0.591 -0.738 0.00 0.00 +0.120 A ATOM 33 N LIG 1 -6.949 -0.540 -0.022 0.00 0.00 -0.237 NA ENDROOT BRANCH 32 34 ATOM 34 N LIG 1 -8.283 1.109 -1.018 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -8.360 2.054 -0.658 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -8.426 1.136 -2.022 0.00 0.00 +0.144 HD ENDBRANCH 32 34 BRANCH 24 37 ATOM 37 C LIG 1 5.532 -0.504 -1.756 0.00 0.00 +0.178 C BRANCH 37 38 ATOM 38 N LIG 1 6.883 -0.428 -1.215 0.00 0.00 -0.267 N ATOM 39 N LIG 1 7.783 -1.392 -1.503 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 8.889 -0.990 -0.874 0.00 0.00 +0.134 A ATOM 41 C LIG 1 8.712 0.234 -0.203 0.00 0.00 +0.041 A ATOM 42 C LIG 1 7.404 0.580 -0.450 0.00 0.00 +0.108 A ENDBRANCH 37 38 ENDBRANCH 24 37 TORSDOF 3