REMARK Name = BDB014799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.301 0.168 -0.588 0.00 0.00 +0.032 A ATOM 2 C LIG 1 1.473 -0.944 -0.422 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.090 -0.863 -0.640 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -0.515 0.339 -1.029 0.00 0.00 -0.018 A ATOM 5 C LIG 1 0.311 1.458 -1.192 0.00 0.00 +0.010 A ATOM 6 C LIG 1 1.693 1.373 -0.975 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.966 0.422 -1.258 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.749 1.383 -0.594 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.128 1.464 -0.810 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.745 0.570 -1.688 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -3.984 -0.374 -2.378 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -2.606 -0.451 -2.156 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 -6.200 0.644 -1.950 0.00 0.00 +0.247 C ATOM 14 N LIG 1 -7.079 0.577 -0.875 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -6.723 0.126 0.477 0.00 0.00 +0.123 C ATOM 16 C LIG 1 -7.882 -0.615 1.171 0.00 0.00 +0.103 C ATOM 17 N LIG 1 -9.161 0.119 1.220 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 -9.388 0.744 2.520 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -9.283 1.114 0.132 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -8.510 0.732 -1.141 0.00 0.00 +0.123 C ATOM 21 O LIG 1 -6.567 0.764 -3.116 0.00 0.00 -0.270 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 3.699 0.151 -0.380 0.00 0.00 -0.298 N ATOM 23 H LIG 1 4.107 1.050 -0.598 0.00 0.00 +0.154 HD BRANCH 22 29 ATOM 24 C LIG 1 8.568 2.751 0.416 0.00 0.00 +0.109 C ATOM 25 C LIG 1 9.112 1.344 0.379 0.00 0.00 +0.213 C ATOM 26 N LIG 1 8.192 0.311 0.242 0.00 0.00 -0.297 N ATOM 27 C LIG 1 6.788 0.555 -0.153 0.00 0.00 +0.148 C ATOM 28 C LIG 1 5.943 -0.635 0.128 0.00 0.00 +0.032 A ATOM 29 C LIG 1 4.538 -0.835 0.026 0.00 0.00 +0.150 A ATOM 30 N LIG 1 4.221 -2.085 0.380 0.00 0.00 -0.156 NA ATOM 31 N LIG 1 5.384 -2.671 0.710 0.00 0.00 -0.269 N ATOM 32 C LIG 1 5.374 -4.041 1.161 0.00 0.00 +0.172 C ATOM 33 C LIG 1 6.448 -1.845 0.553 0.00 0.00 +0.047 A ATOM 34 C LIG 1 7.882 -2.126 0.798 0.00 0.00 +0.074 C ATOM 35 C LIG 1 8.720 -1.059 0.066 0.00 0.00 +0.114 C ATOM 36 O LIG 1 10.324 1.152 0.479 0.00 0.00 -0.276 OA ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 4