REMARK Name = BDB060772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.022 0.074 0.026 0.00 0.00 -0.284 N ATOM 2 H LIG 1 1.447 0.986 -0.060 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -3.252 0.046 0.009 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.500 1.221 -0.111 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -1.096 1.209 -0.104 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.373 0.019 0.030 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -1.111 -1.155 0.155 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.516 -1.139 0.145 0.00 0.00 +0.025 A BRANCH 3 14 ATOM 9 C LIG 1 -9.716 0.726 0.886 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -8.944 -0.112 -0.102 0.00 0.00 +0.213 C ATOM 11 N LIG 1 -7.569 0.036 -0.111 0.00 0.00 -0.299 N ATOM 12 C LIG 1 -6.829 0.979 0.734 0.00 0.00 +0.126 C ATOM 13 C LIG 1 -5.409 1.282 0.217 0.00 0.00 +0.124 C ATOM 14 N LIG 1 -4.639 0.048 0.008 0.00 0.00 -0.327 N ATOM 15 C LIG 1 -5.386 -1.152 -0.415 0.00 0.00 +0.124 C ATOM 16 C LIG 1 -6.764 -0.798 -1.005 0.00 0.00 +0.126 C ATOM 17 O LIG 1 -9.534 -0.881 -0.861 0.00 0.00 -0.276 OA ENDBRANCH 3 14 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 C LIG 1 2.033 -0.875 0.150 0.00 0.00 +0.220 A ATOM 19 N LIG 1 3.276 -0.377 0.095 0.00 0.00 -0.214 NA ATOM 20 C LIG 1 4.306 -1.239 0.220 0.00 0.00 +0.078 A ATOM 21 C LIG 1 4.125 -2.593 0.389 0.00 0.00 +0.048 A ATOM 22 C LIG 1 2.821 -3.011 0.426 0.00 0.00 +0.116 A ATOM 23 N LIG 1 1.772 -2.180 0.312 0.00 0.00 -0.223 NA BRANCH 20 24 ATOM 24 C LIG 1 5.639 -0.649 0.160 0.00 0.00 +0.026 A ATOM 25 C LIG 1 6.099 0.489 -0.582 0.00 0.00 +0.009 A ATOM 26 C LIG 1 7.457 0.661 -0.292 0.00 0.00 +0.049 A ATOM 27 C LIG 1 8.219 1.694 -0.864 0.00 0.00 +0.026 A ATOM 28 C LIG 1 7.585 2.566 -1.752 0.00 0.00 +0.002 A ATOM 29 C LIG 1 6.238 2.417 -2.062 0.00 0.00 +0.001 A ATOM 30 N LIG 1 7.804 -0.329 0.601 0.00 0.00 -0.349 N ATOM 31 C LIG 1 9.122 -0.503 1.171 0.00 0.00 +0.149 C ATOM 32 C LIG 1 5.488 1.386 -1.486 0.00 0.00 +0.010 A ATOM 33 C LIG 1 6.723 -1.123 0.878 0.00 0.00 +0.096 A ENDBRANCH 20 24 ENDBRANCH 1 18 TORSDOF 4