REMARK Name = BDB034324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.716 1.724 -1.149 0.00 0.00 +0.034 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.972 1.668 0.358 0.00 0.00 +0.103 C BRANCH 2 3 ATOM 3 N LIG 1 -1.969 0.669 0.732 0.00 0.00 -0.343 N ATOM 4 H LIG 1 -1.647 -0.277 0.549 0.00 0.00 +0.146 HD BRANCH 3 9 ATOM 5 C LIG 1 -6.087 -2.405 0.815 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -6.499 -1.123 0.451 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -5.608 -0.063 0.349 0.00 0.00 +0.073 A ATOM 8 C LIG 1 -4.233 -0.284 0.606 0.00 0.00 +0.021 A ATOM 9 C LIG 1 -3.340 0.822 0.464 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -3.896 2.071 0.177 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -5.256 2.172 -0.048 0.00 0.00 +0.113 A ATOM 12 C LIG 1 -3.833 -1.591 0.991 0.00 0.00 +0.012 A ATOM 13 N LIG 1 -6.108 1.135 0.015 0.00 0.00 -0.255 NA ATOM 14 C LIG 1 -4.749 -2.639 1.091 0.00 0.00 +0.001 A ENDBRANCH 3 9 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 -0.228 0.412 -1.779 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 1.006 -0.145 -1.232 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 0.956 -0.249 -0.221 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 2.195 0.627 -1.581 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 3.431 0.000 -0.977 0.00 0.00 -0.033 A ATOM 20 C LIG 1 4.075 0.610 0.115 0.00 0.00 +0.015 A ATOM 21 C LIG 1 5.221 0.012 0.676 0.00 0.00 -0.000 A ATOM 22 C LIG 1 5.689 -1.183 0.133 0.00 0.00 +0.046 A ATOM 23 N LIG 1 6.803 -1.548 0.856 0.00 0.00 -0.361 N ATOM 24 H LIG 1 7.350 -2.380 0.683 0.00 0.00 +0.165 HD ATOM 25 C LIG 1 7.054 -0.625 1.837 0.00 0.00 +0.083 A ATOM 26 C LIG 1 5.067 -1.817 -0.947 0.00 0.00 +0.026 A ATOM 27 C LIG 1 6.090 0.353 1.750 0.00 0.00 +0.027 A ATOM 28 C LIG 1 3.931 -1.205 -1.488 0.00 0.00 +0.007 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 7