REMARK Name = BDB018709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.032 -0.155 0.266 0.00 0.00 -0.267 N ATOM 2 C LIG 1 -1.994 -0.704 1.198 0.00 0.00 +0.151 C ATOM 3 C LIG 1 -0.663 -0.116 0.699 0.00 0.00 +0.128 C ATOM 4 C LIG 1 0.363 0.004 1.850 0.00 0.00 +0.242 C ATOM 5 O LIG 1 0.052 0.125 3.034 0.00 0.00 -0.273 OA ATOM 6 N LIG 1 1.686 0.090 1.472 0.00 0.00 -0.281 N ATOM 7 H LIG 1 2.363 0.272 2.201 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 2.099 -0.161 0.155 0.00 0.00 +0.074 A ATOM 9 C LIG 1 1.174 -0.615 -0.800 0.00 0.00 +0.141 A ATOM 10 N LIG 1 1.508 -0.840 -2.082 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 2.800 -0.634 -2.425 0.00 0.00 +0.113 A ATOM 12 C LIG 1 3.782 -0.209 -1.541 0.00 0.00 +0.022 A ATOM 13 C LIG 1 3.423 0.032 -0.219 0.00 0.00 +0.028 A ATOM 14 N LIG 1 -0.133 -0.909 -0.426 0.00 0.00 -0.313 N ATOM 15 H LIG 1 -0.723 -1.050 -1.239 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -1.105 1.272 0.223 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -2.462 1.030 -0.425 0.00 0.00 +0.119 C ENDROOT BRANCH 1 19 ATOM 18 N LIG 1 -5.467 -0.679 0.402 0.00 0.00 -0.174 NA ATOM 19 C LIG 1 -4.337 -0.441 0.338 0.00 0.00 +0.169 C ENDBRANCH 1 19 TORSDOF 1