REMARK Name = BDB062473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.370 -1.354 -0.466 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.840 -1.869 -1.133 0.00 0.00 +0.120 C ATOM 3 C LIG 1 2.107 -1.123 -0.790 0.00 0.00 -0.030 A ATOM 4 C LIG 1 2.331 -0.813 0.560 0.00 0.00 -0.041 A ATOM 5 C LIG 1 3.521 -0.197 0.955 0.00 0.00 +0.012 A ATOM 6 C LIG 1 4.500 0.120 0.004 0.00 0.00 -0.025 A ATOM 7 C LIG 1 4.259 -0.173 -1.346 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.238 -1.182 1.527 0.00 0.00 +0.051 C ATOM 9 C LIG 1 3.075 -0.803 -1.742 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -0.119 -0.821 0.897 0.00 0.00 +0.090 C ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 5.724 0.798 0.450 0.00 0.00 +0.013 C ATOM 12 C LIG 1 6.947 0.521 -0.028 0.00 0.00 +0.068 C BRANCH 12 13 ATOM 13 C LIG 1 8.124 1.255 0.499 0.00 0.00 +0.237 C ATOM 14 N LIG 1 9.310 0.811 -0.034 0.00 0.00 -0.315 N ATOM 15 H LIG 1 9.323 -0.011 -0.620 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 10.570 1.341 0.423 0.00 0.00 +0.128 C ATOM 17 O LIG 1 8.032 2.152 1.327 0.00 0.00 -0.271 OA ENDBRANCH 12 13 ENDBRANCH 6 11 BRANCH 1 18 ATOM 18 C LIG 1 -1.065 -0.370 -1.312 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 -7.250 0.103 0.715 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -6.913 -1.354 0.540 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -7.734 -2.238 0.765 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -5.646 -1.662 0.116 0.00 0.00 -0.321 N ATOM 23 H LIG 1 -5.439 -2.645 0.008 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.673 -0.695 -0.153 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -4.973 0.654 0.006 0.00 0.00 +0.088 A ATOM 26 N LIG 1 -4.096 1.652 -0.232 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 -2.862 1.278 -0.644 0.00 0.00 +0.116 A ATOM 28 C LIG 1 -2.458 -0.045 -0.828 0.00 0.00 -0.013 A ATOM 29 C LIG 1 -3.401 -1.052 -0.580 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -6.310 1.031 0.454 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 -9.044 1.837 1.372 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -8.659 0.374 1.182 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5