REMARK Name = BDB014702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.112 -1.967 -0.151 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -4.610 -2.088 -0.105 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.882 -0.931 0.143 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.423 -1.111 0.272 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -1.716 0.193 0.181 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -0.330 0.505 0.126 0.00 0.00 +0.150 A ATOM 7 N LIG 1 -0.155 1.830 0.070 0.00 0.00 -0.156 NA ATOM 8 N LIG 1 -1.391 2.355 0.066 0.00 0.00 -0.269 N ATOM 9 C LIG 1 -1.543 3.787 -0.016 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -2.362 1.410 0.155 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.830 1.591 0.192 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -4.473 0.293 0.728 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -4.071 -3.180 -0.293 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 N LIG 1 0.621 -0.462 0.135 0.00 0.00 -0.298 N ATOM 15 H LIG 1 0.303 -1.423 0.137 0.00 0.00 +0.154 HD BRANCH 14 16 ATOM 16 C LIG 1 2.036 -0.397 0.112 0.00 0.00 +0.033 A ATOM 17 C LIG 1 2.757 -1.609 0.089 0.00 0.00 +0.034 A ATOM 18 C LIG 1 4.165 -1.599 0.067 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.189 -2.571 0.040 0.00 0.00 +0.143 A ATOM 20 N LIG 1 6.411 -2.034 0.025 0.00 0.00 -0.179 NA ATOM 21 N LIG 1 6.170 -0.707 0.045 0.00 0.00 -0.267 N ATOM 22 C LIG 1 7.278 0.218 0.032 0.00 0.00 +0.173 C ATOM 23 C LIG 1 4.836 -0.382 0.069 0.00 0.00 +0.069 A ATOM 24 C LIG 1 4.160 0.841 0.090 0.00 0.00 +0.030 A ATOM 25 C LIG 1 2.756 0.803 0.112 0.00 0.00 +0.025 A ENDBRANCH 14 16 ENDBRANCH 6 14 TORSDOF 2